data_2crv_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 2crv _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.463 ' HB3' ' CG2' ' A' ' 97' ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 110.97 -0.434 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.3 mt -77.89 -44.34 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -165.31 143.62 8.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -103.03 134.75 45.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 110.306 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.29 135.95 50.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.6 m -106.25 145.21 31.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.469 ' CG2' HG22 ' A' ' 18' ' ' THR . 37.3 mt -88.0 117.11 31.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 8.0 mt -90.32 -36.65 14.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.37 159.89 42.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.469 HG22 ' CG2' ' A' ' 15' ' ' ILE . 29.8 p -140.2 134.81 31.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 110.383 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.431 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 10.8 p90 -154.07 176.92 11.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -117.42 162.88 17.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 110.388 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.456 HG21 ' CG2' ' A' ' 30' ' ' VAL . 5.7 m -134.66 159.3 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.1 m -114.8 138.9 50.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.404 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -140.32 99.33 3.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.23 -48.16 3.98 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -174.67 -46.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.53 170.31 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -127.34 99.43 5.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.407 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 3.4 mp -90.18 126.42 56.99 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 28' ' ' ILE . 18.3 Cg_endo -75.02 145.62 31.58 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.548 1.815 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.456 ' CG2' HG21 ' A' ' 21' ' ' VAL . 47.5 t -130.65 150.55 34.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.2 117.22 20.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.61 119.94 30.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.2 p -132.37 146.64 52.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 108.288 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.463 ' HB2' ' CD1' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -109.55 116.81 32.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.0 t -55.42 113.81 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -89.42 -33.23 16.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.324 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -151.71 136.08 16.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.53 -153.05 36.45 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -146.42 172.32 13.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 110.338 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 71.7 mt -117.11 124.54 49.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.1 122.42 46.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.469 ' HG2' ' CD2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -70.87 77.56 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.311 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -178.51 -51.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.653 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -57.11 -172.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.554 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 2.9 mmtp -100.83 163.37 12.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.554 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 7.0 m-85 -143.38 173.65 11.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -163.6 149.31 11.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.54 HD21 ' CD2' ' A' ' 90' ' ' PHE . 28.2 tp -104.1 119.6 39.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.475 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 2.3 mp -105.86 117.78 52.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 9.4 ttm180 -124.46 111.87 16.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.26 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.471 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 22.6 t30 80.11 -0.83 2.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.46 -14.62 22.72 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.545 1.153 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -99.02 147.55 24.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 0.742 . . . . 0.0 110.272 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 t -86.42 138.19 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.463 ' CD1' ' O ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -111.21 -42.2 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.542 ' CE3' HD21 ' A' ' 83' ' ' LEU . 54.5 t90 -128.26 137.71 52.11 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.71 124.94 21.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.499 ' O ' ' CH2' ' A' ' 56' ' ' TRP . . . 151.64 -164.33 30.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -95.49 146.52 24.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.531 HD11 ' CZ ' ' A' ' 46' ' ' PHE . 3.8 mt -65.28 171.22 3.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.0 p -106.69 -27.73 10.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 m -161.11 151.56 17.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 109.994 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.469 ' CD2' ' HG2' ' A' ' 42' ' ' ARG . 12.6 tp -147.44 136.81 22.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -144.88 149.65 35.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 42.2 t60 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.615 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.461 ' CG2' HD11 ' A' ' 73' ' ' ILE . 11.0 tt -91.74 170.67 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.4 m -115.58 -43.19 3.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.996 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.7 t -114.77 143.49 24.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.461 HD11 ' CG2' ' A' ' 70' ' ' ILE . 31.2 mm -118.22 111.94 36.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -72.03 -176.77 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.9 m -77.13 145.13 37.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.376 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.41 8.13 87.67 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.546 1.154 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -102.31 131.77 48.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.757 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.61 132.15 37.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 21.1 p -145.32 157.66 44.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 108.281 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -123.49 125.58 5.95 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.6 pp -114.85 150.8 34.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 0.753 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.3 m -130.93 134.44 46.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.999 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.542 HD21 ' CE3' ' A' ' 56' ' ' TRP . 20.9 mt -89.47 151.19 22.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -71.54 -30.03 65.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.95 73.31 10.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -38.83 -34.5 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -43.59 -48.54 7.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 56' ' ' TRP . 87.4 t -59.59 140.89 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -127.72 147.29 50.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.54 ' CD2' HD21 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -106.03 -175.42 2.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.476 ' CG ' ' OD1' ' A' ' 94' ' ' ASP . 3.2 pttt -175.15 159.34 2.21 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 56.03 4.09 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.798 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -175.26 33.6 0.1 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.444 1.09 . . . . 0.0 111.04 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.476 ' OD1' ' CG ' ' A' ' 91' ' ' LYS . 13.0 m-20 -121.2 -171.82 2.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -143.44 148.14 35.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 17.2 t -126.09 98.35 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.463 ' CG2' ' HB3' ' A' ' 9' ' ' PRO . 11.7 mm -94.99 123.51 47.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.7 t -105.7 95.22 5.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 108.303 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 14.1 p90 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.844 0 N-CA-C 110.971 -0.434 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.6 mt -68.64 -44.31 82.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -170.62 149.12 12.14 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -103.41 152.88 21.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.06 137.68 33.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.0 m -107.53 147.66 30.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.021 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.418 HD12 ' CD1' ' A' ' 48' ' ' LEU . 57.8 mt -91.93 121.03 42.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.482 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 10.0 mt -94.44 -39.1 10.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.02 155.8 44.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.42 HG21 ' N ' ' A' ' 91' ' ' LYS . 33.9 p -135.49 135.55 40.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.415 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.552 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 13.7 p90 -153.39 -177.39 6.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 m -124.26 162.94 22.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.408 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.452 HG22 ' CG2' ' A' ' 30' ' ' VAL . 6.0 m -133.63 159.17 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.9 m -114.52 139.41 49.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.376 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -139.94 99.35 3.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.78 -53.74 4.34 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -164.88 -46.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 0.794 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 168.74 3.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.0 107.27 9.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.415 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 4.0 mp -90.94 129.34 44.5 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 28' ' ' ILE . 18.3 Cg_endo -74.97 132.0 14.96 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.526 1.803 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.552 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 43.7 t -117.75 152.98 19.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.468 ' CB ' ' CG ' ' A' ' 90' ' ' PHE . . . -133.32 116.85 16.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.24 113.52 23.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.4 p -125.76 149.72 48.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 108.297 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.482 ' HB2' ' CD1' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -110.7 124.7 52.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.456 ' CG2' HG22 ' A' ' 73' ' ' ILE . 46.0 t -62.42 111.68 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.539 1.15 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -89.8 -32.42 16.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.8 pttt -148.22 150.19 33.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.9 -138.77 44.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.445 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 1.3 pt20 -148.65 173.62 13.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 0.794 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.439 ' CD1' HG22 ' A' ' 35' ' ' VAL . 71.8 mt -117.25 124.59 49.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.516 ' CB ' ' CG ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -88.98 178.75 6.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.12 -56.74 2.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -73.09 -36.88 66.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.643 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.516 ' CG ' ' CB ' ' A' ' 41' ' ' GLU . 38.4 mmtt -42.09 162.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.568 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -93.36 158.72 15.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.568 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 25.0 m-85 -148.17 177.71 9.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.423 ' HA ' ' CE3' ' A' ' 56' ' ' TRP . 21.5 pttt -162.46 154.24 18.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.418 ' CD1' HD12 ' A' ' 15' ' ' ILE . 18.1 tp -104.48 119.17 38.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.519 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 2.1 mp -106.96 117.13 52.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.432 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 12.0 ttp85 -124.67 113.17 17.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 0.9 OUTLIER 77.19 6.7 3.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.31 -13.45 48.0 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.42 1.075 . . . . 0.0 110.969 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -97.87 150.98 20.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 0.808 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 t -93.06 129.2 43.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.427 HD11 ' CB ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -103.09 -39.96 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.563 ' CE3' HD21 ' A' ' 83' ' ' LEU . 54.2 t90 -128.78 136.61 50.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 108.003 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.91 131.53 31.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 153.29 -143.13 9.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 p -119.48 148.62 43.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 0.784 . . . . 0.0 109.997 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.53 HD13 ' CE1' ' A' ' 46' ' ' PHE . 12.3 mt -70.44 154.01 42.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.9 p -96.83 -26.57 15.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 110.367 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.3 m -146.16 167.67 22.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.5 tp -174.75 107.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -126.86 155.1 43.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.49 ' O ' ' CG ' ' A' ' 65' ' ' HIS . 1.2 t60 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.607 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.5 tt -95.8 168.9 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.6 m -116.35 -36.05 4.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.974 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 t -119.87 135.67 59.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.456 HG22 ' CG2' ' A' ' 35' ' ' VAL . 14.5 mm -116.65 119.77 62.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -73.44 -177.57 2.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.7 m -78.91 145.85 33.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 75.67 3.35 72.49 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.7 mmm -96.3 130.91 43.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.68 143.56 27.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 23.4 p -159.19 158.24 32.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 108.352 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -123.99 130.09 7.47 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.6 pp -120.05 159.56 24.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.735 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 43.8 p -138.1 147.67 44.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.982 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.563 HD21 ' CE3' ' A' ' 56' ' ' TRP . 9.0 mt -99.42 148.31 24.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -59.11 -20.29 52.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -98.81 134.75 41.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.333 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -91.93 -29.92 16.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.54 -43.66 65.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.405 HG11 ' CD1' ' A' ' 83' ' ' LEU . 12.5 p -67.43 128.79 31.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -124.68 132.07 53.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.493 ' CE1' HD11 ' A' ' 83' ' ' LEU . 1.3 m-85 -83.03 168.35 17.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.42 ' N ' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -153.13 157.81 32.92 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.354 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 55.17 3.85 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.77 34.07 0.08 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.442 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 0.1 OUTLIER -119.64 -168.81 1.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 109.295 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -142.72 153.76 43.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.8 t -134.76 99.95 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.555 ' CD1' ' N ' ' A' ' 97' ' ' ILE . 1.3 mp -87.06 120.12 35.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.438 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 12.2 t -100.55 100.16 10.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 108.306 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.4 p90 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.028 -0.412 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.439 ' CD1' ' HA ' ' A' ' 99' ' ' TYR . 5.6 mt -70.76 -48.55 56.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -158.83 144.25 10.12 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -108.81 141.79 40.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 110.329 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.4 144.25 51.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 m -114.75 139.62 49.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.027 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.458 ' CG2' HG22 ' A' ' 18' ' ' THR . 51.9 mt -86.05 120.48 36.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.2 mt -95.68 -35.32 11.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -145.09 160.38 41.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.458 HG22 ' CG2' ' A' ' 15' ' ' ILE . 29.9 p -145.69 136.75 24.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.374 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.505 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 9.1 p90 -153.96 -178.94 7.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.2 m -118.55 163.65 16.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.44 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.45 HG21 ' CG2' ' A' ' 30' ' ' VAL . 7.5 m -135.36 158.67 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.4 m -122.6 125.47 45.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.345 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -151.67 98.97 2.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.89 54.73 3.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? 51.64 26.89 3.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 109.257 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -114.76 163.25 15.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.47 92.31 3.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 23' ' ' GLU . 3.6 mp -95.69 118.98 65.77 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 117.74 5.03 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 111.005 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.505 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 78.1 t -100.6 157.41 4.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -138.66 118.33 13.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.07 122.76 35.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.5 p -133.4 156.9 46.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 108.302 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.21 121.15 42.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.45 ' CG2' HG23 ' A' ' 73' ' ' ILE . 23.8 t -54.21 117.75 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -95.36 -30.27 14.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt -155.22 143.07 19.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.66 -149.05 51.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.475 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 8.1 pt20 -143.29 175.82 9.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 67.7 mt -117.46 124.4 48.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' HIS . 33.4 mt-10 -107.57 118.1 35.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.448 ' CG ' ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -64.63 75.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.338 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' GLU . 2.0 t60 179.03 -47.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.575 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -53.59 -179.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 46' ' ' PHE . 2.7 tttt -98.35 140.34 32.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.563 ' CE2' HD13 ' A' ' 60' ' ' LEU . 12.0 m-85 -124.41 169.88 11.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -163.61 150.13 11.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.413 HD12 ' CB ' ' A' ' 94' ' ' ASP . 27.2 tp -104.12 120.34 40.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.522 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 2.0 mp -107.19 115.79 49.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.472 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 7.7 ttm180 -124.0 112.86 17.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 9.8 t-20 79.88 -0.06 2.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.4 -14.79 25.22 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.544 1.152 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -98.59 148.06 24.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 0.765 . . . . 0.0 110.313 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.3 t -88.96 131.45 36.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -103.96 -39.71 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.561 ' CE3' HD21 ' A' ' 83' ' ' LEU . 63.8 t90 -131.03 135.03 47.22 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.84 115.0 10.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.456 ' O ' ' CH2' ' A' ' 56' ' ' TRP . . . 165.73 -164.55 37.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.0 m -95.84 152.72 18.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 110.015 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.563 HD13 ' CE2' ' A' ' 46' ' ' PHE . 11.3 mt -75.03 158.25 33.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.357 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 58.0 p -97.53 -25.57 15.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.402 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.77 154.87 26.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.975 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.448 ' HB3' ' CG ' ' A' ' 42' ' ' ARG . 9.9 tp -154.78 126.91 7.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -139.7 152.28 46.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.585 ' CD2' ' O ' ' A' ' 78' ' ' ASP . 43.7 t-80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.593 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.8 tt -94.36 171.15 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.9 t -118.24 -41.47 2.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.6 t -111.55 145.13 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.475 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 15.4 mm -127.56 119.72 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -82.56 179.94 7.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 33.3 m -74.87 147.14 41.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.98 -2.11 76.52 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.115 . . . . 0.0 110.967 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 84.6 mtp -100.22 127.93 46.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.585 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 5.6 m-20 -84.79 146.1 27.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 10.1 p -155.24 154.79 32.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 108.291 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -121.68 133.78 9.63 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.531 1.145 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.459 ' CD1' HD22 ' A' ' 60' ' ' LEU . 4.2 pp -126.0 148.24 49.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.776 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.7 m -129.02 135.34 48.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.561 HD21 ' CE3' ' A' ' 56' ' ' TRP . 24.6 mt -87.37 153.25 21.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.07 -28.2 64.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.44 85.09 5.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -49.0 -24.67 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.01 -45.58 64.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 61.9 t -67.43 126.83 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -118.12 130.58 56.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.27 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.423 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 2.4 m-85 -79.56 -164.5 0.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.423 ' CG ' ' O ' ' A' ' 90' ' ' PHE . 0.8 OUTLIER 178.24 154.19 0.5 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 54.88 3.79 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.36 33.86 0.09 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.413 ' CB ' HD12 ' A' ' 48' ' ' LEU . 4.2 m-20 -120.68 -170.81 2.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 0.77 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -142.74 150.31 39.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.4 t -130.35 98.3 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.488 ' CD1' ' N ' ' A' ' 97' ' ' ILE . 1.5 mp -88.84 117.75 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 8.5 t -97.81 101.94 13.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.251 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.439 ' HA ' ' CD1' ' A' ' 10' ' ' ILE . 3.0 p90 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.912 0 N-CA-C 110.956 -0.44 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.9 mt -72.3 -45.31 61.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -168.46 140.53 6.24 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.493 1.121 . . . . 0.0 111.056 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -100.66 147.52 25.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 110.255 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -133.07 144.84 50.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.57 134.93 54.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.955 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.457 HG22 ' CG2' ' A' ' 18' ' ' THR . 54.7 mt -82.64 125.12 39.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.5 mt -102.02 -36.67 8.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.78 148.76 41.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.457 ' CG2' HG22 ' A' ' 15' ' ' ILE . 69.4 p -133.85 134.55 42.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.396 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.456 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 10.3 p90 -155.08 177.55 11.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.958 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -119.03 162.88 17.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.46 HG21 ' CG2' ' A' ' 30' ' ' VAL . 6.9 m -134.91 157.91 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 55.8 m -114.74 141.52 47.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -143.91 99.34 3.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 110.318 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.37 -49.13 4.09 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -170.23 -54.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.76 170.47 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.78 108.44 10.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.408 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 4.2 mp -89.62 126.35 58.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 28' ' ' ILE . 18.2 Cg_endo -75.03 128.75 11.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.46 ' CG2' HG21 ' A' ' 21' ' ' VAL . 50.6 t -116.52 150.51 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.69 126.11 31.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.89 121.22 41.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.5 p -135.63 152.6 51.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 108.283 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -108.9 118.66 37.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.456 ' CG2' HG23 ' A' ' 73' ' ' ILE . 77.2 t -53.06 110.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.37 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -83.19 -39.79 20.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.7 pttp -147.2 142.24 27.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.98 -151.18 42.09 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -140.96 175.97 9.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 0.0 110.299 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 63.8 mt -117.31 125.04 50.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -110.5 127.71 55.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.304 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.98 67.88 1.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -178.68 -49.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.544 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -49.23 176.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.509 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 1.3 mttt -93.7 150.58 20.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.6 ' CZ ' ' SG ' ' A' ' 98' ' ' CYS . 11.1 m-85 -142.26 170.83 14.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.555 ' HE3' ' CE1' ' A' ' 99' ' ' TYR . 4.8 ptpt -161.75 152.93 18.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.418 HD21 ' CD1' ' A' ' 90' ' ' PHE . 32.1 tp -104.27 120.67 41.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.52 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 2.1 mp -108.61 114.88 47.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.57 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 8.8 ttm180 -123.69 111.13 15.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.57 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 13.0 t-20 88.47 -24.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 136.42 -13.62 4.0 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -101.65 149.24 24.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 0.742 . . . . 0.0 110.309 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.41 ' CG2' ' HD3' ' A' ' 47' ' ' LYS . 5.8 t -87.33 133.32 30.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.419 ' N ' HD13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -108.33 -42.01 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.522 ' CE2' ' HB3' ' A' ' 83' ' ' LEU . 82.0 t90 -124.59 135.8 53.43 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.06 118.83 14.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 159.16 -167.95 35.05 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 m -91.79 152.41 20.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 0.798 . . . . 0.0 109.991 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.414 HD12 ' CZ ' ' A' ' 46' ' ' PHE . 4.8 mt -73.16 164.85 26.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.1 p -103.35 -29.11 11.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 110.389 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 m -154.85 157.72 38.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.1 tp -160.35 115.23 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -124.99 164.89 19.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.431 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 6.4 t60 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.612 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.7 tt -95.28 170.98 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.8 m -115.23 -40.83 3.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.9 t -110.66 147.57 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.456 HG23 ' CG2' ' A' ' 35' ' ' VAL . 17.0 mm -131.93 110.52 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -63.28 -172.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.2 m -81.15 160.82 24.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.414 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 56.37 19.47 25.76 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.0 mmm -103.66 138.15 40.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 0.774 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.88 132.48 39.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 22.0 p -153.05 160.75 42.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 108.345 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -117.16 136.23 12.49 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.1 pp -131.49 161.79 31.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 40.9 t -143.56 153.17 42.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.522 ' HB3' ' CE2' ' A' ' 56' ' ' TRP . 9.6 mt -102.77 143.66 32.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -49.27 -29.38 5.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -90.19 134.2 34.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.413 ' OE1' ' N ' ' A' ' 86' ' ' GLU . 6.8 pm0 -91.07 -31.35 16.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -45.39 62.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.0 p -64.36 125.54 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -121.4 130.11 53.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.449 ' CE1' HD13 ' A' ' 83' ' ' LEU . 2.2 m-85 -79.78 -172.61 3.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.998 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.503 ' CG ' ' OD1' ' A' ' 94' ' ' ASP . 2.0 pttt -174.73 158.09 2.32 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 57.18 4.51 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.526 1.803 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.75 34.14 0.08 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.503 ' OD1' ' CG ' ' A' ' 91' ' ' LYS . 12.4 m-20 -125.15 -173.59 2.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -140.83 152.49 45.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.344 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.9 t -131.58 98.35 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.487 ' CD1' ' N ' ' A' ' 97' ' ' ILE . 1.5 mp -88.19 117.9 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.6 ' SG ' ' CZ ' ' A' ' 46' ' ' PHE . 13.9 t -97.27 97.9 9.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 108.289 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.555 ' CE1' ' HE3' ' A' ' 47' ' ' LYS . 3.5 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.934 0 N-CA-C 110.973 -0.434 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.1 mt -73.1 -41.54 59.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 179.56 139.89 3.88 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -100.65 129.27 46.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.76 . . . . 0.0 110.292 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.58 147.36 36.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.64 135.42 54.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.065 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.448 ' CG2' HG22 ' A' ' 18' ' ' THR . 44.9 mt -80.05 120.0 30.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 31.0 mt -93.2 -38.98 11.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.01 155.24 43.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.448 HG22 ' CG2' ' A' ' 15' ' ' ILE . 30.9 p -135.84 135.59 39.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.364 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.571 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 12.0 p90 -154.84 -177.15 6.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 m -123.92 162.5 23.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.362 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 28' ' ' ILE . 6.6 m -131.99 156.21 42.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.1 m -111.05 131.85 54.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.418 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 28' ' ' ILE . 6.5 mm-40 -143.26 98.3 3.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.321 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.455 ' O ' ' HB2' ' A' ' 25' ' ' LYS . . . 64.49 61.71 5.72 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 24' ' ' GLY . 7.0 mttm 75.51 -55.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 0.794 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.56 160.83 1.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 pttt -132.62 107.28 8.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.473 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 4.2 mp -95.11 131.11 30.76 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 28' ' ' ILE . 18.4 Cg_endo -75.0 146.41 32.6 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.525 1.802 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.571 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 24.1 t -131.11 153.46 39.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.57 115.31 13.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.11 112.42 21.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.6 p -123.79 148.38 46.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 108.297 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.469 ' HB2' ' CD1' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -112.34 122.29 47.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.467 ' CG2' HG23 ' A' ' 73' ' ' ILE . 73.8 t -60.23 113.74 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -89.51 -43.55 10.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.62 135.59 38.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.83 -142.76 30.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -150.13 176.84 10.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 72.3 mt -117.28 124.81 49.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -115.8 121.51 42.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.438 ' CD ' ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -56.43 160.99 2.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.277 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.436 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 0.8 OUTLIER 83.7 -51.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.603 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -43.57 165.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.447 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -88.94 142.03 27.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 98' ' ' CYS . 7.8 m-85 -137.25 172.77 12.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.938 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -160.52 152.08 19.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.509 HD22 ' CD2' ' A' ' 90' ' ' PHE . 26.8 tp -104.4 116.69 32.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.479 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 2.4 mp -105.55 115.28 47.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.492 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 10.4 ttm180 -124.28 112.83 17.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 7.8 t-20 81.56 -0.49 1.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.85 -13.71 29.38 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.455 1.097 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -99.0 147.98 24.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.784 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 t -87.16 138.48 18.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -113.47 -41.94 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.355 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.569 ' CE3' HD21 ' A' ' 83' ' ' LEU . 57.8 t90 -129.63 136.03 49.26 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.17 118.5 14.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.512 ' O ' ' CH2' ' A' ' 56' ' ' TRP . . . 160.98 -166.89 35.79 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 p -94.0 152.49 18.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 110.023 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.468 ' CD2' HD11 ' A' ' 81' ' ' LEU . 6.5 mt -78.23 147.24 34.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.8 p -82.12 -23.09 35.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.438 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.2 m -165.03 154.83 13.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.438 ' HB3' ' CD ' ' A' ' 42' ' ' ARG . 2.3 tp -158.76 120.99 3.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -123.81 165.91 16.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.436 ' ND1' ' C ' ' A' ' 65' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.599 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.8 tt -96.18 139.04 19.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.471 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 0.8 OUTLIER -103.14 27.94 6.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 71' ' ' SER . 12.6 t -159.81 143.87 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.467 HG23 ' CG2' ' A' ' 35' ' ' VAL . 20.8 mm -141.28 103.1 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.2 mttt -65.51 179.85 0.74 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 73.7 m -74.96 139.28 42.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.467 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.41 ' HA2' ' NE ' ' A' ' 34' ' ' ARG . . . 87.85 -10.23 71.09 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.9 mmm -86.54 126.66 34.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 0.771 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -83.95 143.11 30.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 25.5 p -156.27 159.39 38.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 108.324 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -126.77 145.14 15.56 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.468 HD11 ' CD2' ' A' ' 60' ' ' LEU . 4.4 pp -134.45 158.0 45.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.3 p -141.25 139.55 33.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.012 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.569 HD21 ' CE3' ' A' ' 56' ' ' TRP . 6.2 mt -96.67 155.98 16.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -70.66 -25.59 63.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -92.48 81.0 4.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.9 pm0 -48.78 -23.45 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.95 -46.32 68.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.452 ' CG2' ' HB2' ' A' ' 56' ' ' TRP . 89.5 t -62.35 128.7 24.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -114.77 149.15 37.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.275 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.509 ' CD2' HD22 ' A' ' 48' ' ' LEU . 1.0 OUTLIER -109.72 168.01 9.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.03 157.89 32.95 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 54.86 3.76 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.783 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.91 33.9 0.08 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -116.6 -172.4 2.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 0.784 . . . . 0.0 109.267 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' ILE . 15.7 mt-30 -138.6 146.76 42.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.7 t -127.17 98.26 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.7 mm -87.2 132.07 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.571 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 14.4 t -119.15 104.41 10.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 108.32 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 9.9 p90 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 111.021 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.861 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.458 ' CD1' ' HA ' ' A' ' 99' ' ' TYR . 1.6 mp -69.06 -35.54 69.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -176.88 150.95 10.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.538 1.149 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -118.94 150.13 40.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -140.05 130.55 25.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.7 m -98.63 146.95 25.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.454 HD12 ' CD1' ' A' ' 48' ' ' LEU . 58.4 mt -90.46 122.6 42.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.476 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 9.2 mt -97.32 -39.2 9.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.2 153.33 45.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.439 HG22 ' CG2' ' A' ' 15' ' ' ILE . 51.6 p -136.21 135.75 39.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.452 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.553 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 12.4 p90 -156.39 -177.59 6.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -124.2 162.81 22.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.455 HG21 ' CG2' ' A' ' 30' ' ' VAL . 6.0 m -132.88 159.1 43.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.2 m -111.37 133.99 53.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 110.378 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -144.3 99.12 3.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.469 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . 63.17 48.58 78.53 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.433 1.083 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER 85.69 -50.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 0.761 . . . . 0.0 109.244 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 163.09 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.8 mtmm -132.11 102.79 5.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.531 ' CD1' ' N ' ' A' ' 28' ' ' ILE . 2.6 mp -94.94 123.17 58.4 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 130.17 13.08 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.553 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 52.9 t -113.66 157.64 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.453 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -137.68 115.7 11.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.9 115.5 23.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.2 p -128.1 144.74 51.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 108.295 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.476 ' HB2' ' CD1' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -107.18 119.74 40.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.434 ' CG2' HG22 ' A' ' 73' ' ' ILE . 96.2 t -56.87 123.86 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -103.84 -35.14 8.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.09 145.39 30.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.94 -145.81 45.51 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -147.38 175.97 10.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 0.764 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.2 mt -117.53 124.87 49.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -112.66 137.8 50.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.42 70.44 8.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.268 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.5 t-160 -179.55 -49.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.616 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.9 mmtm -50.18 178.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.583 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -96.57 158.79 15.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.244 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.583 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 21.2 m-85 -148.28 169.72 19.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 111.048 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.1 pttt -162.62 150.18 13.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.454 ' CD1' HD12 ' A' ' 15' ' ' ILE . 28.4 tp -104.33 119.43 38.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.536 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 1.8 mp -107.37 113.64 44.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.452 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 3.7 ttm180 -121.28 114.07 20.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 29.1 t30 77.99 1.14 2.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.07 -14.9 28.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.13 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -96.75 149.26 22.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.784 . . . . 0.0 110.321 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 t -91.01 131.32 38.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.403 ' N ' HD12 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -105.6 -41.74 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 109.263 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.568 ' CE3' HD21 ' A' ' 83' ' ' LEU . 71.4 t90 -130.01 135.23 48.05 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -137.75 115.13 11.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.3 -163.09 36.32 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 m -95.92 147.49 23.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 0.793 . . . . 0.0 110.005 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.51 HD11 ' CE2' ' A' ' 46' ' ' PHE . 22.2 mt -69.15 114.44 7.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.56 -13.72 23.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.412 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 m -167.14 153.65 8.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.024 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.1 tp -155.65 126.64 7.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -138.57 147.81 43.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' A' ' 78' ' ' ASP . 64.0 t60 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.579 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.5 tt -90.36 170.52 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 60.2 p -115.76 -35.58 4.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.7 t -132.12 140.21 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.346 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.434 HG22 ' CG2' ' A' ' 35' ' ' VAL . 20.3 mm -116.91 127.5 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -85.08 179.41 7.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 59.2 m -76.7 152.53 35.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.396 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 73.59 8.65 76.96 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.471 1.107 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.3 mmm -105.18 133.19 50.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.453 ' O ' ' ND1' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -92.95 124.44 36.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 26.3 p -137.1 160.34 39.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 108.319 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -121.15 126.18 6.47 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.469 ' CD2' HD13 ' A' ' 60' ' ' LEU . 4.4 pp -118.18 135.86 53.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 0.791 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.0 p -116.4 140.19 49.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.568 HD21 ' CE3' ' A' ' 56' ' ' TRP . 33.2 mt -93.04 147.65 22.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -64.35 -26.77 68.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 87' ' ' LYS . 0.5 OUTLIER -95.54 76.11 3.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -41.23 -28.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 85' ' ' GLU . 20.1 mttt -47.83 -47.83 31.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 61.2 t -65.44 125.42 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -115.89 136.61 52.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.453 ' CD2' ' HB2' ' A' ' 31' ' ' ALA . 1.1 m-85 -87.7 -172.47 3.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.062 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -172.84 155.56 3.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 55.82 4.1 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -175.56 33.85 0.09 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -122.49 -168.69 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -144.24 155.78 44.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 28.0 t -134.47 98.5 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.55 ' CD1' ' N ' ' A' ' 97' ' ' ILE . 1.2 mp -87.12 115.23 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 7.4 t -96.77 101.97 13.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 108.32 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.458 ' HA ' ' CD1' ' A' ' 10' ' ' ILE . 2.8 p90 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 111.03 -0.412 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.3 mt -73.66 -43.58 54.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.47 142.02 5.28 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -101.77 140.51 35.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.758 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.25 133.22 43.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 33' ' ' CYS . 67.7 m -99.59 154.74 18.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.5 mt -96.66 127.4 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.484 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 17.6 mt -101.51 -37.4 8.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -145.5 153.69 41.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.423 HG22 ' N ' ' A' ' 91' ' ' LYS . 30.4 p -135.14 135.56 41.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.428 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.571 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 9.8 p90 -154.16 -177.31 6.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -123.16 162.64 22.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' A' ' 28' ' ' ILE . 6.2 m -131.53 156.83 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.3 m -108.56 132.43 53.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.358 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 28' ' ' ILE . 1.6 mt-10 -143.67 98.92 3.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . 62.57 51.37 56.57 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.2 OUTLIER 84.97 -52.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.33 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.46 161.24 0.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.99 99.01 4.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 23' ' ' GLU . 5.0 mp -89.83 128.48 50.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 139.28 24.03 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.473 1.775 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.571 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 38.8 t -125.14 145.33 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -122.76 120.38 33.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -90.55 114.94 27.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 14' ' ' SER . 1.9 p -127.2 146.97 50.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 108.305 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.484 ' HB2' ' CD1' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -108.23 120.94 43.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 25.0 t -58.54 131.29 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -113.96 -37.55 4.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -145.57 130.82 18.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.29 -145.01 19.49 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -150.19 166.85 28.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 110.301 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.452 ' CD2' ' SG ' ' A' ' 98' ' ' CYS . 53.1 mt -117.23 124.66 49.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.472 ' HB2' ' CG ' ' A' ' 44' ' ' LYS . 6.3 mt-10 -108.93 179.01 4.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.69 -31.92 9.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.04 47.65 1.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.56 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.472 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 21.1 mmtm -136.93 168.19 20.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.55 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 11.0 mptt -95.3 153.83 17.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.557 ' CD2' ' SG ' ' A' ' 98' ' ' CYS . 19.8 m-85 -146.28 173.99 11.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.66 153.38 17.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.452 HD22 ' CD2' ' A' ' 90' ' ' PHE . 40.8 tp -104.35 120.93 42.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.518 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 2.1 mp -111.07 116.53 52.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.506 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 30.6 ttm180 -122.78 110.97 16.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 8.6 t-20 82.36 -6.69 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.358 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.43 -15.12 10.76 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -96.42 148.14 23.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 110.335 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.4 t -89.55 136.15 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.47 -43.48 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.57 ' CE3' HD23 ' A' ' 83' ' ' LEU . 46.6 t90 -127.13 135.66 51.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 108.05 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.94 113.74 9.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 176.39 -142.98 6.21 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.102 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 p -120.58 155.06 34.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.74 . . . . 0.0 109.967 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.548 HD11 ' CE2' ' A' ' 46' ' ' PHE . 27.7 mt -77.88 136.21 38.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 13.4 p -77.47 -16.65 58.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.408 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.5 m -168.9 153.62 5.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.989 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 tp -152.85 116.01 4.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.085 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -129.55 157.07 43.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 4.3 t60 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.61 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.466 ' CG2' HD11 ' A' ' 73' ' ' ILE . 0.6 OUTLIER -100.55 146.49 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 61.8 p -101.79 -26.72 13.37 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.468 1.105 . . . . 0.0 110.026 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.6 t -139.93 134.2 36.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.466 HD11 ' CG2' ' A' ' 70' ' ' ILE . 12.7 mm -114.55 128.07 71.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -83.42 175.55 9.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.359 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.9 m -73.3 142.19 47.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 110.363 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.78 -4.68 85.5 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.2 mmm -96.1 131.06 42.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -83.48 145.8 28.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 23.0 p -161.56 158.3 26.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 108.313 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -119.92 134.93 10.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.2 pp -126.1 148.1 49.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.9 p -129.11 141.3 51.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.984 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.57 HD23 ' CE3' ' A' ' 56' ' ' TRP . 39.1 mt -87.98 167.76 13.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -92.79 25.95 2.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -150.6 91.55 1.75 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.266 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -52.78 -21.53 4.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -55.23 -42.94 74.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.453 ' CG2' ' HB2' ' A' ' 56' ' ' TRP . 48.9 t -72.08 133.22 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -121.94 135.78 54.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.452 ' CD2' HD22 ' A' ' 48' ' ' LEU . 1.5 m-85 -90.92 -174.8 4.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.423 ' N ' HG22 ' A' ' 18' ' ' THR . 0.3 OUTLIER -172.12 158.74 4.27 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 95.27 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.504 1.792 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 146.67 -17.13 1.62 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -66.78 -179.27 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.751 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -132.3 158.28 42.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.4 t -134.58 99.22 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 9.8 mm -87.65 112.74 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.557 ' SG ' ' CD2' ' A' ' 46' ' ' PHE . 4.0 m -102.52 94.39 5.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 108.335 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.9 p90 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 110.991 -0.427 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.1 mt -78.49 -46.7 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -168.73 139.37 5.62 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.12 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -105.57 124.83 50.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.749 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.05 131.62 54.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 m -96.62 142.14 29.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.041 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.461 HD11 ' CD1' ' A' ' 48' ' ' LEU . 52.9 mt -84.16 120.15 34.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.484 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 9.6 mt -92.4 -41.23 10.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.12 159.55 41.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.457 HG22 ' CG2' ' A' ' 15' ' ' ILE . 17.5 p -141.12 142.68 34.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.381 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.554 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 10.0 p90 -162.28 179.77 7.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 m -121.13 162.1 20.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.38 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.454 HG23 ' CG2' ' A' ' 30' ' ' VAL . 5.8 m -131.11 159.04 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.3 m -112.92 132.51 55.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 110.437 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -139.29 99.34 3.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . 58.78 47.37 90.72 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.597 1.186 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER 89.35 -43.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.278 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.88 160.06 2.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -132.36 101.22 5.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.556 ' CD1' ' N ' ' A' ' 28' ' ' ILE . 2.2 mp -96.54 124.66 50.04 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 128.76 11.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 111.026 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.554 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 47.9 t -113.49 157.01 14.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.546 ' HB1' ' CD2' ' A' ' 90' ' ' PHE . . . -139.47 119.84 13.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.33 118.32 30.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 p -131.04 139.95 50.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 108.304 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.484 ' HB2' ' CD1' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -104.3 122.2 44.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.283 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.443 ' CG2' HG23 ' A' ' 73' ' ' ILE . 57.6 t -51.7 126.87 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -99.39 -38.23 8.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.23 148.96 33.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.76 -135.35 49.34 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.449 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 7.8 pt20 -155.81 175.59 13.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.751 . . . . 0.0 110.355 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.2 mt -117.18 124.7 49.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -104.87 118.34 36.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 110.244 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.52 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 0.8 OUTLIER -59.55 153.48 19.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.52 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 12.3 t60 88.75 -42.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.609 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -52.12 -176.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.358 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.493 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 4.5 mttt -99.5 151.03 21.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.087 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.493 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 15.0 m-85 -142.34 174.72 10.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.47 ' CE ' ' HB ' ' A' ' 97' ' ' ILE . 15.4 pttt -163.56 148.31 10.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.461 ' CD1' HD11 ' A' ' 15' ' ' ILE . 19.5 tp -104.34 119.69 39.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.546 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 1.6 mp -108.09 118.32 55.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.431 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 19.6 ttp85 -123.36 113.18 18.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.431 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 4.1 t-20 77.39 1.35 3.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.06 -14.59 26.14 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.533 1.146 . . . . 0.0 110.97 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -96.63 150.27 20.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 0.792 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 t -91.16 132.78 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -106.5 -42.75 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.565 ' CE3' HD21 ' A' ' 83' ' ' LEU . 48.3 t90 -130.4 138.44 50.35 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.83 125.13 21.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.487 ' O ' ' CH2' ' A' ' 56' ' ' TRP . . . 154.06 -167.16 32.22 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 p -94.01 157.38 16.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.466 HD12 ' CE2' ' A' ' 46' ' ' PHE . 15.3 mt -79.72 163.09 24.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 65.5 p -101.66 -19.3 15.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.436 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.5 m -164.15 160.76 21.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.995 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.471 ' HB3' ' CG ' ' A' ' 42' ' ' ARG . 11.5 tp -158.62 124.7 4.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.354 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -133.42 133.94 42.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.612 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 15.5 tt -87.55 166.18 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 92.8 p -115.95 -34.77 4.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.019 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.5 t -108.75 145.62 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.449 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 48.0 mm -129.3 109.89 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -69.47 -176.25 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.2 m -79.01 145.18 34.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.365 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.11 -0.13 74.57 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.7 mmm -93.75 128.75 40.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 0.762 . . . . 0.0 111.041 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -84.17 146.24 27.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 24.5 p -160.07 158.49 30.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 108.258 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -127.59 135.57 8.8 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 pp -126.04 162.68 24.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.785 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 12.6 m -143.74 138.82 29.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.565 HD21 ' CE3' ' A' ' 56' ' ' TRP . 10.0 mt -92.19 147.83 22.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -18.57 64.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 87' ' ' LYS . 3.6 tp10 -100.37 79.6 2.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -43.57 -27.52 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 85' ' ' GLU . 5.0 mttp -48.99 -47.58 44.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.465 ' CG2' ' HB2' ' A' ' 56' ' ' TRP . 61.1 t -67.93 124.51 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -115.87 137.42 52.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.546 ' CD2' ' HB1' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -88.72 179.63 6.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 111.017 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 90' ' ' PHE . 6.0 mttt -165.28 157.05 13.04 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 55.34 3.91 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -177.65 34.32 0.08 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.447 1.092 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.435 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 0.5 OUTLIER -118.95 -168.65 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 109.315 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -144.55 152.84 41.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 22.2 t -130.05 103.55 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.47 ' HB ' ' CE ' ' A' ' 47' ' ' LYS . 18.5 mm -90.75 124.71 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 17.4 t -114.76 101.18 8.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 108.301 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 24.1 p90 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 111.022 179.942 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.465 ' HB3' ' CG2' ' A' ' 97' ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.908 0 N-CA-C 111.009 -0.42 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.1 mt -83.03 -42.85 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.33 145.38 11.09 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.466 1.104 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -113.27 121.83 45.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 110.309 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.96 131.01 57.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.72 140.96 34.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.004 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.466 HD13 ' CD1' ' A' ' 48' ' ' LEU . 60.6 mt -85.31 117.2 29.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.483 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 13.2 mt -90.51 -38.85 12.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.33 160.23 42.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.454 HG23 ' CG2' ' A' ' 15' ' ' ILE . 13.8 p -141.36 138.68 33.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 30' ' ' VAL . 8.3 p90 -153.79 -177.26 6.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.133 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.9 m -118.42 163.44 16.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.37 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' A' ' 28' ' ' ILE . 6.7 m -135.7 158.52 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.9 m -116.03 143.14 45.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.406 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -149.81 99.45 2.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.92 -44.2 3.32 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.2 mttt 175.31 -43.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.99 175.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.12 97.72 4.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.467 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 4.4 mp -89.74 124.02 64.96 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 146.94 33.46 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.512 1.796 . . . . 0.0 111.041 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.446 ' CG2' HG23 ' A' ' 21' ' ' VAL . 53.8 t -137.43 154.74 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.468 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -134.2 120.27 19.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.41 116.83 24.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 p -127.68 145.25 50.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 108.313 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.483 ' HB2' ' CD1' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -108.66 122.68 47.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.433 ' CG1' ' O ' ' A' ' 38' ' ' GLY . 85.4 t -62.12 112.12 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -88.8 -45.17 9.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -139.47 136.39 34.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.433 ' O ' ' CG1' ' A' ' 35' ' ' VAL . . . 76.47 -164.04 53.16 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.448 1.093 . . . . 0.0 111.026 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -132.76 172.27 12.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 0.793 . . . . 0.0 110.262 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.0 mt -117.05 124.5 49.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -105.84 122.97 47.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -71.56 83.2 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 172.18 -47.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.582 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -56.47 -173.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.581 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 2.7 mmtp -99.23 162.29 13.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.581 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 14.6 m-85 -146.8 169.02 19.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.441 ' HE2' ' CE1' ' A' ' 99' ' ' TYR . 1.4 pttt -157.04 145.73 19.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.562 HD21 ' CD2' ' A' ' 90' ' ' PHE . 41.5 tp -104.23 112.45 25.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.427 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 2.7 mp -101.51 119.41 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 2.1 ttm180 -126.1 112.73 16.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER 80.56 -1.84 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.13 -12.9 24.08 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -100.27 148.05 25.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 0.78 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.7 t -87.04 135.05 26.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.495 ' CD1' ' O ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -110.54 -42.15 4.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.554 ' CE3' HD21 ' A' ' 83' ' ' LEU . 63.0 t90 -129.14 134.99 48.28 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.1 ttpp -137.07 117.16 13.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 163.85 -164.47 36.44 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -91.17 147.53 22.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.99 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.51 ' HG ' ' CG ' ' A' ' 46' ' ' PHE . 32.6 mt -64.68 123.14 18.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.3 m -65.13 -20.78 66.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.425 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.3 m -167.16 169.94 12.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.8 tp -163.89 125.12 2.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -140.19 141.31 35.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.499 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 10.3 t60 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.627 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.7 tt -90.87 170.4 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.1 m -116.07 -34.87 4.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.989 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.4 t -128.37 140.57 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.427 HG22 ' CG2' ' A' ' 35' ' ' VAL . 23.9 mm -115.86 120.23 64.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -80.48 176.31 9.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.5 m -74.35 145.67 43.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.429 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.68 -12.33 56.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 97.9 mtp -88.26 129.32 35.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.52 130.15 37.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 29.8 p -139.27 164.72 29.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.332 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -125.49 125.55 5.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.12 . . . . 0.0 110.995 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.469 ' CD1' HD23 ' A' ' 60' ' ' LEU . 4.5 pp -114.37 142.33 46.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 18.1 p -125.7 142.0 51.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.979 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.554 HD21 ' CE3' ' A' ' 56' ' ' TRP . 19.3 mt -98.72 149.9 22.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -65.02 -19.61 66.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -100.64 87.1 3.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.68 -23.1 4.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.0 mttp -53.12 -47.36 68.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 0.0 109.284 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.42 ' CG2' ' HB2' ' A' ' 56' ' ' TRP . 57.9 t -65.36 123.09 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -110.69 144.35 39.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.278 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.562 ' CD2' HD21 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -104.7 143.09 33.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.948 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.416 ' HG3' ' NH2' ' A' ' 50' ' ' ARG . 3.1 mmtm -126.16 159.5 62.01 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 89.31 1.17 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.433 1.754 . . . . 0.0 110.977 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 155.0 -22.44 0.59 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.16 -170.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -144.66 149.47 35.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 27.6 t -129.33 102.57 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.465 ' CG2' ' HB3' ' A' ' 9' ' ' PRO . 20.7 mm -99.8 119.56 48.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 11.5 t -101.27 99.75 10.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 108.287 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.441 ' CE1' ' HE2' ' A' ' 47' ' ' LYS . 19.1 p90 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 111.004 -0.422 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.435 ' CD1' ' HE3' ' A' ' 44' ' ' LYS . 17.8 mt -81.92 -34.88 12.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 175.93 146.09 5.79 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -115.53 136.34 53.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.37 147.95 45.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.55 134.0 55.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.082 . . . . 0.0 109.967 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.478 ' CG2' HG23 ' A' ' 18' ' ' THR . 57.1 mt -83.34 120.6 34.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 mt -95.14 -38.82 10.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -143.2 158.97 43.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.478 HG23 ' CG2' ' A' ' 15' ' ' ILE . 19.8 p -142.48 137.85 30.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.388 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.543 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 8.7 p90 -152.24 -179.18 7.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.8 m -119.82 164.27 16.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 110.397 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.415 HG23 ' CG2' ' A' ' 30' ' ' VAL . 6.6 m -136.65 157.83 36.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.1 m -121.86 127.15 50.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.397 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.527 ' CG ' ' CD1' ' A' ' 28' ' ' ILE . 0.3 OUTLIER -152.01 99.4 2.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.31 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.04 55.26 3.58 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt 52.15 22.64 1.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 109.264 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -110.89 161.76 15.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -131.67 92.44 3.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.527 ' CD1' ' CG ' ' A' ' 23' ' ' GLU . 1.9 mp -96.94 120.16 62.1 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 123.45 7.9 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.492 1.785 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.543 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 53.7 t -105.85 153.79 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.503 ' HB2' ' CD1' ' A' ' 90' ' ' PHE . . . -133.53 121.91 22.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.8 123.94 38.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.4 p -139.81 158.45 44.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 108.318 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.05 116.94 29.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.45 ' CG2' HG21 ' A' ' 73' ' ' ILE . 92.5 t -51.74 113.64 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -79.03 -48.17 14.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.352 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.92 149.05 30.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.0 -137.51 18.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -157.2 174.8 14.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 0.739 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.8 mt -117.34 124.59 49.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -102.62 121.48 42.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.457 ' HG2' ' CD2' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -74.66 73.98 2.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.454 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 4.8 p-80 165.64 -34.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.606 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.435 ' HE3' ' CD1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -61.63 178.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.557 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -94.03 150.81 20.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.557 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 16.2 m-85 -146.47 178.19 8.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 pttt -163.56 155.21 17.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.1 tp -106.9 122.34 46.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.512 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 2.3 mp -108.47 114.52 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.47 ' HB2' ' CD1' ' A' ' 55' ' ' ILE . 7.1 ttp-105 -126.45 119.12 26.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.462 ' N ' ' OD1' ' A' ' 51' ' ' ASN . 0.8 OUTLIER 75.36 3.24 3.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.53 -12.01 42.91 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -103.95 147.64 27.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 110.312 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 t -87.48 133.91 29.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -105.21 -43.56 7.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.533 ' CZ3' HD21 ' A' ' 83' ' ' LEU . 40.3 t90 -124.63 138.43 54.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 107.993 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.02 113.36 9.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.508 ' C ' ' CH2' ' A' ' 56' ' ' TRP . . . 168.79 -158.06 30.49 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.2 p -105.99 152.47 23.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.767 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.9 mt -73.82 158.17 35.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 64.8 p -106.33 -26.74 11.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.415 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -148.68 162.78 39.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.011 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.457 ' CD2' ' HG2' ' A' ' 42' ' ' ARG . 2.5 tp -170.61 123.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -130.33 150.15 51.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 2.2 t60 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.582 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 12.5 tt -92.26 168.6 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.228 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.22 -34.83 4.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.6 t -119.98 142.43 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.45 HG21 ' CG2' ' A' ' 35' ' ' VAL . 7.5 mm -122.75 125.97 73.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -79.21 -171.36 2.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.2 m -85.53 146.32 26.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.401 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 73.65 3.62 63.54 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.515 1.135 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.5 mmm -94.61 132.55 39.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 0.74 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.412 ' O ' ' ND1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -84.74 142.19 30.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 27.6 p -162.32 162.44 27.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 108.322 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -122.52 139.0 12.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.6 pp -130.55 152.06 50.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 0.748 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.5 p -135.82 153.26 51.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.001 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.533 HD21 ' CZ3' ' A' ' 56' ' ' TRP . 4.6 mt -107.37 146.17 31.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -54.93 -20.28 8.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -94.68 133.6 38.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -91.5 -32.43 15.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.65 -42.7 62.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 14.6 p -70.09 122.98 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -120.21 138.9 53.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.339 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.503 ' CD1' ' HB2' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -93.86 145.36 24.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.97 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.93 161.48 61.22 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 54.89 3.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -174.65 33.04 0.1 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.452 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 0.1 OUTLIER -117.18 -165.97 1.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.773 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' ILE . 33.8 mt-30 -153.42 152.5 31.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.5 t -128.73 97.92 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 8.4 mm -88.78 109.74 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.427 ' SG ' ' CD2' ' A' ' 46' ' ' PHE . 3.9 m -97.85 94.01 6.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 108.319 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 20.0 p90 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 111.017 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 110.978 -0.431 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.1 mt -73.68 -45.37 50.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -167.98 146.77 10.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -100.8 143.55 30.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.93 130.51 35.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.59 140.57 34.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.472 ' CG2' HG21 ' A' ' 18' ' ' THR . 75.0 mt -88.23 118.56 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.3 mt -91.51 -39.02 12.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.1 162.15 38.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.472 HG21 ' CG2' ' A' ' 15' ' ' ILE . 8.7 p -143.82 143.55 31.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.365 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -161.61 -177.22 5.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.4 m -115.43 166.37 11.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 110.446 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.462 HG21 ' CG2' ' A' ' 30' ' ' VAL . 6.7 m -137.55 159.89 34.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.1 m -111.11 135.9 50.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.416 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -144.21 99.14 3.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.95 -47.85 3.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -179.83 -38.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.46 175.04 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.37 101.25 5.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.423 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 3.8 mp -90.42 123.51 65.27 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 129.26 12.17 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.462 ' CG2' HG21 ' A' ' 21' ' ' VAL . 77.4 t -116.81 157.87 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.513 ' HB3' ' CG ' ' A' ' 90' ' ' PHE . . . -133.76 119.54 19.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.94 121.3 31.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.246 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.3 p -132.6 151.32 51.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 108.309 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -107.85 118.56 37.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.429 ' CG2' HG21 ' A' ' 73' ' ' ILE . 51.9 t -55.39 118.88 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.454 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 5.6 mm-40 -94.91 -39.36 10.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.454 ' CG ' ' O ' ' A' ' 36' ' ' GLN . 2.1 mttm -155.49 134.56 12.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.47 -151.61 23.51 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.434 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 9.8 pt20 -143.55 167.19 22.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.2 mt -117.98 127.05 53.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -96.07 177.82 5.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.78 -22.61 10.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -114.76 43.78 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.616 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -130.18 173.42 10.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.524 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.6 OUTLIER -90.18 146.88 23.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 98' ' ' CYS . 20.0 m-85 -145.01 173.93 11.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.422 ' HD2' ' CD1' ' A' ' 49' ' ' ILE . 1.2 pttm -163.48 151.99 13.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.402 HD22 ' NH1' ' A' ' 50' ' ' ARG . 20.2 tp -104.21 120.32 40.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.541 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 2.0 mp -110.52 110.26 31.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.35 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.435 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 9.7 ttp-105 -121.54 115.44 22.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 1.1 t-20 77.16 7.25 3.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.06 -14.16 55.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.11 . . . . 0.0 111.04 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -98.69 150.41 21.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 t -92.95 124.57 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.43 HD11 ' NH1' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -95.68 -34.94 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.567 ' CE3' HD23 ' A' ' 83' ' ' LEU . 35.1 t90 -136.66 140.43 42.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 107.984 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -137.58 137.63 38.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 147.47 -135.51 5.65 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.42 1.075 . . . . 0.0 111.035 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 p -130.5 152.2 50.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.989 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.562 HD13 ' CE2' ' A' ' 46' ' ' PHE . 14.9 mt -70.5 164.46 24.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.0 p -108.07 -17.33 14.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.5 m -163.01 161.66 25.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.3 tp -162.23 115.13 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -126.92 160.78 30.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 2.8 t60 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.584 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.8 tt -90.56 164.26 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 89.4 p -116.01 -35.56 4.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.7 t -105.28 150.01 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.355 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.434 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 25.0 mm -134.7 122.33 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -78.82 178.25 8.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.9 m -78.69 137.71 37.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.402 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.85 1.89 79.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.451 1.094 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.3 mmm -98.54 138.53 35.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.73 133.95 36.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 24.1 p -150.47 159.07 44.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 108.273 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -124.2 127.99 6.66 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.419 ' CD1' HD22 ' A' ' 60' ' ' LEU . 4.6 pp -114.85 166.66 11.52 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 0.799 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 97.4 p -146.47 156.48 43.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.022 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.567 HD23 ' CE3' ' A' ' 56' ' ' TRP . 12.2 mt -108.09 157.13 18.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -71.22 -17.78 62.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.44 ' C ' ' N ' ' A' ' 87' ' ' LYS . 4.8 tp10 -104.37 73.59 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -39.7 -29.24 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.44 ' N ' ' C ' ' A' ' 85' ' ' GLU . 8.4 mttm -46.31 -46.62 18.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 58.3 t -67.97 119.91 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -107.04 138.73 42.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.341 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.513 ' CG ' ' HB3' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -93.45 147.44 22.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.04 160.12 68.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 104.72 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.524 1.802 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.57 39.72 0.32 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.46 -166.61 1.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 0.737 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -143.52 146.63 33.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 16.1 t -130.61 99.46 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 46.6 mm -90.33 126.99 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.566 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 20.4 t -111.0 100.72 9.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 108.285 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 45' ' ' LYS . 35.3 p90 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.912 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.4 mt -79.81 -40.65 21.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.15 145.91 10.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -114.54 164.56 13.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 110.283 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.8 150.64 30.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.02 134.77 55.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.994 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.441 ' CG2' HG23 ' A' ' 18' ' ' THR . 61.0 mt -79.93 120.17 30.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.7 mt -93.64 -38.27 11.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -143.19 160.48 40.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.441 HG23 ' CG2' ' A' ' 15' ' ' ILE . 34.6 p -140.82 134.79 30.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 0.0 110.406 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' VAL . 6.9 p90 -155.92 -177.83 6.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.9 m -120.37 163.32 18.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.44 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.439 HG22 ' CG2' ' A' ' 30' ' ' VAL . 3.8 m -132.5 160.51 42.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.4 m -115.64 138.46 51.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.414 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -141.85 99.49 3.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.49 -49.03 4.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.047 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.07 -40.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 0.775 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.39 172.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.48 98.3 4.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.437 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 4.3 mp -90.0 125.76 59.52 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 137.99 22.42 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.539 1.81 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.439 ' CG2' HG22 ' A' ' 21' ' ' VAL . 52.0 t -125.9 151.03 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.81 121.53 28.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.74 123.13 35.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 p -133.09 150.24 52.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 108.284 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.46 116.83 31.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.45 ' CG2' HG23 ' A' ' 73' ' ' ILE . 45.2 t -52.53 125.8 7.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -105.91 -33.63 7.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 110.285 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -147.69 136.63 22.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.17 -157.91 53.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -133.86 176.75 8.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.3 mt -117.14 124.59 49.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 43' ' ' HIS . 5.5 mt-10 -105.95 117.77 34.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.445 ' CG ' ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -67.28 70.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.335 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.414 ' N ' ' O ' ' A' ' 41' ' ' GLU . 1.7 t-80 -179.11 -44.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.596 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 mmtm -56.9 -171.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.595 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 1.4 mptp? -97.96 165.12 12.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 30.2 m-85 -151.39 160.35 43.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.464 ' HE2' ' CE1' ' A' ' 99' ' ' TYR . 5.3 pttt -150.36 139.05 20.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.419 ' O ' ' CD1' ' A' ' 55' ' ' ILE . 30.4 tp -103.81 101.76 11.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.438 HD12 ' N ' ' A' ' 49' ' ' ILE . 1.6 mp -89.18 117.91 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.577 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 6.6 ttm180 -119.11 110.68 17.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.577 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 11.2 t-20 88.21 -36.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 162.54 -26.66 0.24 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -105.97 150.44 25.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 110.247 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.422 ' HA ' ' HA ' ' A' ' 49' ' ' ILE . 1.3 p -83.7 147.76 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.425 HD11 ' N ' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -113.03 -32.38 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.511 ' CE2' ' HB3' ' A' ' 83' ' ' LEU . 78.6 t90 -130.36 133.55 46.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 108.015 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.52 128.28 31.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 46' ' ' PHE . . . 151.24 -160.54 28.73 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.499 1.125 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.59 150.68 21.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 0.739 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.562 HD11 ' CZ ' ' A' ' 46' ' ' PHE . 5.9 mt -72.19 159.46 34.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 69.4 p -102.24 -13.19 17.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.431 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.4 m -159.83 167.54 27.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.445 ' HB3' ' CG ' ' A' ' 42' ' ' ARG . 14.3 tp -176.23 121.22 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -139.53 155.55 47.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 15.5 t60 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.603 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.429 ' CG2' HD11 ' A' ' 73' ' ' ILE . 5.1 tt -91.8 170.68 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.57 -43.47 3.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.984 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.3 t -109.47 143.4 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.45 HG23 ' CG2' ' A' ' 35' ' ' VAL . 28.4 mm -120.81 116.21 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -76.61 -176.33 3.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.1 m -77.58 152.9 33.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.41 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.83 10.13 57.83 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 65.1 mtp -104.43 123.58 47.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 0.747 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.52 132.27 34.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 13.6 p -147.22 156.0 42.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 108.322 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -119.71 130.26 8.38 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.457 HD12 ' CD2' ' A' ' 60' ' ' LEU . 3.6 pp -117.56 176.25 5.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.791 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.2 p -156.09 139.39 15.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.99 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.511 ' HB3' ' CE2' ' A' ' 56' ' ' TRP . 1.1 mt -93.81 142.9 26.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -55.95 -26.07 46.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -93.95 91.5 6.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.337 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.68 -19.7 28.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -57.78 -43.03 85.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 23.7 t -67.29 133.71 31.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -122.94 141.18 52.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.59 171.14 8.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -155.24 159.55 31.64 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 54.7 3.73 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.489 1.784 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -175.71 33.23 0.09 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.409 ' CB ' HD11 ' A' ' 48' ' ' LEU . 2.4 m-20 -117.24 -171.66 2.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 0.8 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -139.84 154.56 47.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 41.5 t -137.22 97.75 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.57 ' CD1' ' N ' ' A' ' 97' ' ' ILE . 1.2 mp -90.42 122.91 42.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 11.7 t -106.09 96.8 6.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 108.314 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.464 ' CE1' ' HE2' ' A' ' 47' ' ' LYS . 7.6 p90 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 111.053 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.846 0 N-CA-C 110.967 -0.436 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.2 mt -78.33 -44.01 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -165.45 134.56 3.35 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -100.58 125.46 46.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 0.788 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.91 143.0 42.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.95 133.63 55.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.7 mt -79.95 126.92 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 mt -103.84 -34.07 8.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -145.34 155.03 42.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.422 HG23 ' N ' ' A' ' 91' ' ' LYS . 28.7 p -140.38 137.34 33.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.374 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 10.1 p90 -152.98 -178.57 7.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -119.67 163.08 17.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.432 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.421 HG22 ' CG2' ' A' ' 30' ' ' VAL . 3.6 m -138.39 160.88 31.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.7 m -115.12 126.62 54.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.416 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -148.03 98.78 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.309 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.09 56.44 4.03 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.0 mttt 51.07 28.28 3.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 0.775 . . . . 0.0 109.273 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 mtmm -119.11 170.19 9.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.37 92.61 3.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.4 mp -94.51 119.68 66.02 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 122.94 7.53 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.458 1.767 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.568 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 78.1 t -105.38 157.45 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.7 119.1 15.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.23 119.35 33.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.2 p -131.12 152.9 49.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 108.304 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.77 117.25 33.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.5 t -51.44 120.71 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -94.37 -34.96 12.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 110.332 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -148.36 143.12 26.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.14 -137.9 27.19 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.46 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 6.9 pt20 -154.45 174.22 15.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.3 mt -116.89 124.62 49.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -110.82 129.65 55.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.442 ' CG ' ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -78.02 82.59 4.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 177.04 -56.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.579 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -52.71 -176.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.55 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 5.2 mttt -98.19 164.61 12.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 98' ' ' CYS . 28.5 m-85 -148.58 173.65 12.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.4 pttm -160.88 147.03 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.518 ' O ' ' CD1' ' A' ' 55' ' ' ILE . 20.7 tp -103.79 107.24 18.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.1 mp -92.0 121.18 42.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.557 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 2.6 ttm180 -131.62 111.24 11.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.097 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.557 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 4.5 t30 87.03 -12.34 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 130.05 -22.88 4.74 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -106.43 147.17 29.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 0.716 . . . . 0.0 110.343 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 48' ' ' LEU . 0.6 OUTLIER -79.29 147.61 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.518 ' CD1' ' O ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -114.72 -15.51 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.57 ' CE3' HD22 ' A' ' 83' ' ' LEU . 53.1 t90 -146.89 138.94 24.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 107.994 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.1 131.81 37.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.488 ' O ' ' CH2' ' A' ' 56' ' ' TRP . . . 141.37 -164.79 26.53 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.472 1.107 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.35 151.58 21.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 110.012 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 81' ' ' LEU . 0.8 OUTLIER -67.84 167.69 13.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.467 ' CG2' ' HB3' ' A' ' 84' ' ' ASP . 24.0 p -104.53 -19.85 13.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.354 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.8 m -161.64 169.45 21.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.442 ' HB3' ' CG ' ' A' ' 42' ' ' ARG . 10.2 tp -169.4 122.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -132.95 149.23 52.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.541 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 33.8 t60 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.593 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.432 ' CG2' ' CD1' ' A' ' 73' ' ' ILE . 9.5 tt -90.67 169.27 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 m -118.1 -39.92 3.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.987 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.8 t -116.79 135.1 58.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.46 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 19.8 mm -113.38 116.72 53.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -73.38 -175.35 1.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 57.0 m -78.9 144.08 35.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.415 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.85 12.94 84.12 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.5 mmm -106.35 127.57 53.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 111.039 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.93 129.77 35.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 18.9 p -143.79 157.15 44.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 0.0 108.305 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -116.32 130.34 8.95 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.463 ' HB2' ' CD2' ' A' ' 60' ' ' LEU . 4.4 pp -121.91 151.18 40.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 p -130.49 134.81 47.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.051 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.57 HD22 ' CE3' ' A' ' 56' ' ' TRP . 13.3 mt -86.35 164.05 17.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.467 ' HB3' ' CG2' ' A' ' 61' ' ' THR . 2.2 p30 -90.99 41.54 1.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -159.88 130.53 5.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.46 -33.65 25.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -48.12 -45.93 33.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.346 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.459 HG12 ' CD1' ' A' ' 83' ' ' LEU . 12.2 p -64.9 144.09 15.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -141.37 122.28 14.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.556 ' CE1' HD12 ' A' ' 83' ' ' LEU . 3.5 m-85 -76.04 -178.72 4.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.978 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -172.02 155.7 3.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 54.75 3.76 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -177.37 34.09 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -120.71 -172.25 2.34 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.484 0.755 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -138.68 146.83 42.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 110.319 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.7 t -127.84 99.15 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.8 mm -86.93 132.57 32.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.56 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 9.4 t -117.14 96.14 5.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 108.3 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 16.8 p90 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 111.001 -0.423 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.448 ' CD1' ' HA ' ' A' ' 99' ' ' TYR . 2.7 mt -69.74 -31.92 50.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 179.55 142.13 4.87 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.446 ' HB2' ' CE ' ' A' ' 37' ' ' LYS . 35.4 mt-10 -106.32 146.21 30.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.766 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 96' ' ' VAL . . . -141.2 135.01 30.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 33' ' ' CYS . 3.5 m -105.51 161.52 14.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.466 HD11 ' CD1' ' A' ' 48' ' ' LEU . 88.6 mt -101.9 124.48 55.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.493 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 6.5 mt -98.91 -37.85 9.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -145.35 151.45 38.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.457 HG23 ' CG2' ' A' ' 15' ' ' ILE . 30.7 p -133.93 135.9 43.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.457 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.47 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 14.1 p90 -153.6 -178.06 6.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -124.04 163.27 21.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.42 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.463 HG22 ' CG2' ' A' ' 30' ' ' VAL . 8.0 m -133.79 157.61 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.4 m -116.54 133.6 55.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.391 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -145.96 100.7 3.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . 75.38 40.88 32.1 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 111.034 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 4.2 tttt 87.2 -45.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.477 ' CE ' HG13 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -58.76 167.89 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.266 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.42 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -132.52 108.12 8.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.477 HG13 ' CE ' ' A' ' 26' ' ' LYS . 4.0 mp -94.69 129.89 34.93 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 138.81 23.44 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 110.962 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.47 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 51.5 t -129.52 154.8 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -139.66 119.52 13.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.88 115.49 26.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 14' ' ' SER . 1.3 p -124.79 149.13 47.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 108.3 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.493 ' HB2' ' CD1' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -112.18 121.94 46.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 30.6 t -60.02 119.3 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -99.69 -28.78 13.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.285 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.446 ' CE ' ' HB2' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -150.97 139.57 20.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.08 -147.23 42.56 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -143.82 170.16 16.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.763 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.0 mt -117.63 124.83 49.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -109.22 165.36 11.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.2 69.27 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -179.97 -45.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.657 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -52.09 175.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.558 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.4 OUTLIER -95.06 156.11 16.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.593 ' CZ ' ' SG ' ' A' ' 98' ' ' CYS . 18.9 m-85 -146.22 171.61 14.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 111.054 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -163.7 150.7 12.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.466 ' CD1' HD11 ' A' ' 15' ' ' ILE . 25.7 tp -105.0 120.39 41.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.48 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 2.1 mp -106.77 117.13 51.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 8.3 ttm180 -123.66 114.22 19.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 0.6 OUTLIER 77.15 1.0 3.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.82 -15.19 24.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.446 1.091 . . . . 0.0 111.049 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -99.73 146.52 26.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.3 t -86.72 135.6 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.428 HD11 ' CB ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -108.09 -33.48 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.544 ' CE3' HD23 ' A' ' 83' ' ' LEU . 69.7 t90 -137.8 135.54 36.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 107.99 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -137.92 113.76 9.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.465 ' O ' ' CH2' ' A' ' 56' ' ' TRP . . . 167.41 -166.77 39.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 p -91.79 152.68 20.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 109.96 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.426 HD22 ' CD1' ' A' ' 81' ' ' LEU . 15.2 mt -74.8 153.89 38.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 59.7 p -90.77 -27.72 18.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 110.398 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.7 m -157.69 157.24 33.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.4 tp -154.11 115.26 4.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -131.83 155.7 47.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.606 ' CD2' ' O ' ' A' ' 78' ' ' ASP . 64.4 t-80 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.567 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.442 HG22 ' CD1' ' A' ' 73' ' ' ILE . 13.8 tt -91.84 167.27 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.9 t -115.7 -36.37 4.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.981 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.2 t -117.52 142.26 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.442 ' CD1' HG22 ' A' ' 70' ' ' ILE . 19.0 mm -122.01 117.34 52.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.098 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -73.49 -178.02 2.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 73.0 m -79.13 145.49 33.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.404 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 75.39 18.0 80.03 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.562 ' HE2' ' CD2' ' A' ' 65' ' ' HIS . 4.2 mmm -109.97 136.67 48.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.606 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 0.4 OUTLIER -94.57 127.51 40.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 14.2 p -140.73 156.37 46.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 108.324 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -118.85 128.73 7.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.153 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.426 ' CD1' HD22 ' A' ' 60' ' ' LEU . 4.6 pp -121.25 163.53 18.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.43 0.723 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 12.8 p -145.06 145.15 31.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.97 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.544 HD23 ' CE3' ' A' ' 56' ' ' TRP . 10.1 mt -97.42 147.04 24.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.18 -26.04 67.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.27 92.03 7.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.264 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -56.45 -18.75 12.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -44.59 91.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 47.5 t -66.77 128.6 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -120.65 136.53 54.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 110.263 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -89.48 -172.73 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.09 158.66 2.18 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 58.23 4.85 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.461 1.769 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -178.35 35.07 0.08 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -126.44 179.91 5.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.784 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -133.31 154.18 50.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 13' ' ' ALA . 24.9 t -130.82 98.69 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.557 ' CD1' ' N ' ' A' ' 97' ' ' ILE . 1.2 mp -86.27 114.64 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.593 ' SG ' ' CZ ' ' A' ' 46' ' ' PHE . 38.7 t -99.49 97.14 8.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 108.336 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.448 ' HA ' ' CD1' ' A' ' 10' ' ' ILE . 3.1 p90 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 110.933 -0.449 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.3 mt -77.26 -43.81 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.409 ' CA ' ' HA3' ' A' ' 38' ' ' GLY . . . -163.41 142.02 7.55 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -101.89 161.57 13.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 110.347 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -149.86 148.36 29.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.38 128.68 49.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.475 HD13 ' CD1' ' A' ' 48' ' ' LEU . 56.8 mt -77.27 116.36 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.44 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 15.3 mt -90.18 -35.79 15.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -147.32 163.85 35.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.437 HG21 ' CG2' ' A' ' 15' ' ' ILE . 15.3 p -142.39 146.75 35.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.163 . . . . 0.0 110.396 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.55 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 22.9 p90 -165.06 -177.34 4.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.1 m -122.28 169.14 11.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 110.391 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.462 HG23 ' CG2' ' A' ' 30' ' ' VAL . 5.2 m -142.17 159.2 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.5 m -112.8 135.35 53.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -140.34 99.16 3.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.25 -49.97 4.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -174.19 -40.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.302 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.419 ' CG ' ' N ' ' A' ' 27' ' ' LYS . 3.3 ttpm? -67.78 158.98 31.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.419 ' N ' ' CG ' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -118.68 105.44 11.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.7 mp -92.18 122.49 64.78 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 123.62 8.01 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.789 . . . . 0.0 110.955 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.55 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 70.2 t -107.15 157.78 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -138.02 116.22 11.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.07 121.74 29.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 p -133.91 153.39 51.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 108.311 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.44 ' HB2' ' CD1' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -107.68 127.01 53.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.33 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.449 ' CG2' HG21 ' A' ' 73' ' ' ILE . 89.7 t -67.84 112.98 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -87.02 -43.64 12.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.52 147.47 31.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.409 ' HA3' ' CA ' ' A' ' 11' ' ' GLY . . . 78.22 -142.59 26.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -160.45 154.2 22.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 0.746 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.549 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -115.18 123.32 48.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.435 ' HG3' ' CG2' ' A' ' 72' ' ' VAL . 1.1 tt0 -102.16 178.25 4.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.02 58.35 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.411 ' O ' ' O ' ' A' ' 44' ' ' LYS . 37.1 t-80 -175.8 -44.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.614 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 43' ' ' HIS . 32.1 mmtt -51.81 -176.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.559 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 1.2 mttt -101.03 155.26 18.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.559 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 25.2 m-85 -150.23 177.29 10.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -161.99 152.38 17.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.475 ' CD1' HD13 ' A' ' 15' ' ' ILE . 16.9 tp -104.08 118.27 36.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.467 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 2.8 mp -104.1 115.51 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 20.4 ttp85 -121.17 111.43 17.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.575 1.172 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 0.8 OUTLIER 78.42 1.0 2.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.23 -16.9 22.15 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -97.06 148.06 23.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 0.737 . . . . 0.0 110.335 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 t -87.74 136.55 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.257 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.407 HD11 ' CB ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -109.07 -43.08 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.569 ' CE3' HD23 ' A' ' 83' ' ' LEU . 22.5 t90 -126.66 139.72 52.95 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.98 132.12 31.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.364 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 147.07 -162.42 28.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.6 m -96.72 148.12 23.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 0.724 . . . . 0.0 109.985 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.477 ' HG ' ' CD1' ' A' ' 46' ' ' PHE . 12.4 mt -72.67 163.09 28.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.352 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 76.4 p -110.34 -17.38 13.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.431 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -153.45 159.8 42.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.021 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.7 tp -169.13 106.43 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -117.15 156.3 27.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.363 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.501 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 3.0 t60 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.645 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.431 ' CG2' ' CD1' ' A' ' 73' ' ' ILE . 13.0 tt -93.85 171.33 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -114.53 -37.46 4.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.97 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.435 ' CG2' ' HG3' ' A' ' 41' ' ' GLU . 21.2 t -117.11 151.64 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.449 HG21 ' CG2' ' A' ' 35' ' ' VAL . 17.5 mm -132.86 108.04 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -72.51 -174.58 1.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 92.0 m -77.35 146.7 36.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.56 -1.27 72.84 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.1 mmm -95.36 128.33 42.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.63 135.42 33.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 109.238 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 29.5 p -152.22 163.64 39.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.162 . . . . 0.0 108.3 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -124.44 134.04 8.92 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.4 pp -121.05 157.68 29.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 0.785 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 m -144.35 133.08 22.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.975 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.569 HD23 ' CE3' ' A' ' 56' ' ' TRP . 3.2 mt -90.17 140.22 29.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -50.35 -24.93 3.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -87.69 133.65 33.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.327 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -94.03 -25.59 17.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.35 -44.37 80.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.7 p -64.97 124.44 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -116.5 137.77 51.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -96.51 166.49 11.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 111.034 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -150.15 157.96 36.94 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 55.12 3.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.508 1.793 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.13 33.84 0.09 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -118.04 -168.61 1.54 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -147.42 148.06 30.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.5 t -120.44 99.13 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.542 ' CD1' ' N ' ' A' ' 97' ' ' ILE . 1.2 mp -87.76 132.31 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.42 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 8.0 t -115.51 101.37 8.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.303 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 16.9 p90 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 110.989 -0.427 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.6 mt -67.74 -38.17 79.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -177.72 144.02 6.39 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.464 1.102 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -104.71 171.13 7.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 0.739 . . . . 0.0 110.344 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -161.58 133.25 5.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 m -99.82 144.81 28.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.469 ' CG2' HG21 ' A' ' 18' ' ' THR . 59.4 mt -90.34 118.47 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 mt -91.93 -40.11 11.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -143.86 159.17 43.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.469 HG21 ' CG2' ' A' ' 15' ' ' ILE . 24.7 p -142.91 134.72 26.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.401 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -152.12 -177.81 6.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 m -119.09 163.34 17.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.464 ' CG2' HG23 ' A' ' 30' ' ' VAL . 4.9 m -139.51 160.22 27.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.403 ' O ' ' OE1' ' A' ' 23' ' ' GLU . 10.0 m -101.88 133.14 47.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.402 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' A' ' 22' ' ' THR . 6.7 mm-40 -145.68 98.95 3.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.18 33.89 48.09 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.499 1.124 . . . . 0.0 111.051 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 74.61 15.41 3.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -106.68 -179.68 4.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.07 100.48 6.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.7 mm -100.09 118.33 61.67 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 130.89 13.7 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.464 HG23 ' CG2' ' A' ' 21' ' ' VAL . 76.5 t -120.85 157.57 23.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.512 ' HB1' ' CG ' ' A' ' 90' ' ' PHE . . . -138.27 116.81 12.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.09 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.66 111.28 21.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.5 p -122.6 145.43 48.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 108.319 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.92 119.94 39.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 110.273 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.9 t -60.99 116.77 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -92.67 -35.61 13.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -148.68 143.5 26.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.06 -147.14 49.0 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.563 1.165 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.403 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 9.9 pt20 -143.07 167.86 21.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.442 ' O ' ' HA ' ' A' ' 72' ' ' VAL . 35.0 mt -116.63 122.61 45.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.43 ' CB ' ' CG ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -78.83 178.6 7.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.423 ' HD2' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -110.66 -35.48 5.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -92.57 -36.37 13.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.562 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.43 ' CG ' ' CB ' ' A' ' 41' ' ' GLU . 26.7 mmtt -44.74 168.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.577 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 1.5 mptp? -91.84 154.82 18.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.577 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 23.3 m-85 -148.56 174.41 12.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.2 pttt -160.31 151.05 18.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.465 ' CD1' HD12 ' A' ' 15' ' ' ILE . 24.8 tp -104.09 119.75 39.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.506 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 2.3 mp -107.2 116.13 50.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 27.8 ttp85 -121.52 112.12 18.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 4.3 t30 78.16 1.36 2.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.75 -15.03 26.75 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -95.95 149.11 21.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 0.726 . . . . 0.0 110.277 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 t -90.49 132.43 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.411 HD11 ' N ' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -105.98 -41.9 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.534 ' CH2' HD22 ' A' ' 83' ' ' LEU . 71.5 t90 -125.42 138.01 54.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 108.001 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.38 113.59 9.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 168.28 -152.36 20.35 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.74 146.24 36.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.777 . . . . 0.0 110.013 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.504 HD12 ' CZ ' ' A' ' 46' ' ' PHE . 18.8 mt -64.84 154.67 36.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.6 p -92.3 -27.05 17.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.422 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.9 m -158.33 176.83 11.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.97 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.423 ' N ' ' HD2' ' A' ' 42' ' ' ARG . 3.9 tp -176.23 107.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -116.08 153.32 31.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.505 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 2.1 t60 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.609 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.402 ' CG2' HD11 ' A' ' 73' ' ' ILE . 9.2 tt -97.13 162.14 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.0 p -92.2 -58.4 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.442 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 15.2 m -105.04 167.02 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.439 ' CD1' ' HB2' ' A' ' 65' ' ' HIS . 23.5 mm -132.48 101.62 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -54.02 177.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.258 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.2 m -74.56 150.33 39.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.373 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.54 -1.96 59.79 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.1 mmm -89.1 135.66 33.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 0.736 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.11 124.22 45.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 30.9 p -141.98 161.25 38.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 108.277 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -125.66 123.89 5.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.438 ' CD1' HD23 ' A' ' 60' ' ' LEU . 4.6 pp -112.91 169.41 8.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.3 p -146.61 153.89 40.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.014 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.534 HD22 ' CH2' ' A' ' 56' ' ' TRP . 11.7 mt -106.34 143.49 34.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -53.6 -22.47 8.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -94.85 134.49 37.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -90.6 -32.85 16.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.347 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.92 -45.71 51.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.3 p -65.96 130.72 31.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -128.19 131.87 48.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.512 ' CG ' ' HB1' ' A' ' 31' ' ' ALA . 1.6 m-85 -81.69 150.69 27.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -133.15 155.41 81.01 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 55.02 3.82 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.543 1.812 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.88 33.88 0.08 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -121.81 -175.76 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.789 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -133.59 155.61 49.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.2 t -133.51 99.01 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.568 ' CD1' ' N ' ' A' ' 97' ' ' ILE . 1.3 mp -88.44 122.39 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.495 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 31.8 t -105.98 98.6 8.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.299 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 9.8 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.901 0 N-CA-C 111.026 -0.413 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.428 ' N ' ' O ' ' A' ' 98' ' ' CYS . 70.0 mt -68.99 -42.35 82.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 177.84 144.42 5.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.564 1.165 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -100.64 164.74 11.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.474 ' CB ' HD13 ' A' ' 40' ' ' LEU . . . -158.73 134.24 8.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.2 m -100.94 149.69 23.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.006 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.486 HD11 ' CD1' ' A' ' 48' ' ' LEU . 53.2 mt -91.98 119.59 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.433 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 10.6 mt -91.43 -36.4 13.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.26 163.15 39.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.407 HG23 ' CG2' ' A' ' 15' ' ' ILE . 19.1 p -142.38 138.69 31.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.445 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -155.26 -177.87 6.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 m -117.4 165.5 13.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.409 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.453 HG21 ' CG2' ' A' ' 30' ' ' VAL . 6.7 m -136.3 158.45 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.3 m -116.32 136.99 52.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.383 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -141.97 99.3 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 110.316 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.24 -48.09 3.98 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.41 -39.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.65 175.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.03 106.08 7.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.457 ' CD1' ' N ' ' A' ' 28' ' ' ILE . 3.0 mp -97.21 127.66 37.72 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 28' ' ' ILE . 18.4 Cg_endo -74.95 142.74 28.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.453 ' CG2' HG21 ' A' ' 21' ' ' VAL . 56.0 t -132.09 152.29 36.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.514 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . . . -132.55 115.18 15.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.75 116.8 22.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.7 p -127.92 145.12 51.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 108.283 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.433 ' HB2' ' CD1' ' A' ' 16' ' ' LEU . 1.6 tpt180 -105.66 115.75 30.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.9 t -56.31 118.65 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 109.326 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -93.45 -37.08 12.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -144.62 147.13 32.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.08 -146.29 45.55 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 8.3 pt20 -143.83 170.78 15.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 0.777 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.474 HD13 ' CB ' ' A' ' 13' ' ' ALA . 16.8 mt -116.03 122.75 46.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.465 ' CB ' ' HG3' ' A' ' 44' ' ' LYS . 0.3 OUTLIER -75.5 171.14 14.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.412 1.07 . . . . 0.0 110.325 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.542 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -111.13 122.53 48.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 110.282 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.542 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 2.0 t60 90.41 -24.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.566 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.465 ' HG3' ' CB ' ' A' ' 41' ' ' GLU . 37.0 mmtt -49.92 179.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.574 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 5.8 mptt -90.53 141.49 28.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.574 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 21.8 m-85 -148.03 179.11 7.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -162.22 152.03 16.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.486 ' CD1' HD11 ' A' ' 15' ' ' ILE . 28.8 tp -104.21 121.31 43.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.557 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 1.8 mp -110.85 113.06 43.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 21.2 ttm180 -119.96 113.47 20.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.26 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 7.8 m-20 77.66 1.27 2.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.08 -14.95 28.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -94.91 149.24 21.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 0.785 . . . . 0.0 110.296 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.5 t -92.25 126.36 44.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -99.87 -41.85 9.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.534 ' CE3' HD23 ' A' ' 83' ' ' LEU . 59.8 t90 -128.3 135.88 50.22 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.95 115.93 11.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 169.19 -145.4 9.38 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.42 141.2 48.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 0.736 . . . . 0.0 109.996 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.518 ' HG ' ' CD1' ' A' ' 46' ' ' PHE . 67.1 mt -59.25 168.55 1.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.413 HG22 ' N ' ' A' ' 84' ' ' ASP . 35.9 p -108.21 -23.17 12.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.384 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -167.38 156.16 9.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.406 ' N ' ' HD2' ' A' ' 42' ' ' ARG . 14.9 tp -155.33 105.09 2.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -115.25 162.09 17.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.514 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 3.5 t60 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.608 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.9 tt -95.81 160.11 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.25 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.79 -58.69 2.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 10.3 m -102.82 163.46 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.442 ' CD1' ' HB2' ' A' ' 65' ' ' HIS . 28.6 mm -128.08 101.63 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -58.14 176.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.3 m -73.43 145.15 45.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.94 -11.64 56.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.135 . . . . 0.0 110.961 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.432 ' SD ' ' CE1' ' A' ' 65' ' ' HIS . 2.6 mmm -83.23 128.68 34.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.65 127.62 38.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 27.1 p -141.23 159.71 41.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 108.318 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -126.54 121.4 4.01 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.547 1.155 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.45 ' CD1' HD22 ' A' ' 60' ' ' LEU . 4.5 pp -109.91 168.07 9.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 0.788 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 29.3 t -144.81 150.53 37.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.534 HD23 ' CE3' ' A' ' 56' ' ' TRP . 5.4 mt -103.39 148.03 26.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.413 ' N ' HG22 ' A' ' 61' ' ' THR . 4.8 p-10 -63.12 -21.99 66.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -99.86 77.32 2.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.14 -27.0 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -48.79 -47.91 41.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.424 ' CG1' ' HB2' ' A' ' 56' ' ' TRP . 44.9 t -65.35 127.04 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -116.17 135.44 53.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.343 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.514 ' CD2' ' HB3' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -87.7 162.8 16.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 111.042 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -143.67 156.6 59.59 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 54.8 3.74 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.501 1.79 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -177.54 34.27 0.08 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.549 1.156 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.08 -168.14 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 0.73 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' ILE . 16.5 mt-30 -143.2 153.87 43.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.7 t -133.97 99.46 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.554 ' CD1' ' N ' ' A' ' 97' ' ' ILE . 1.3 mp -92.78 113.68 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.465 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 34.2 t -92.95 120.79 33.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 108.292 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.8 p90 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 110.923 -0.453 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.7 mt -73.43 -42.41 56.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -172.1 146.3 9.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -108.32 163.5 13.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.62 131.0 15.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.56 139.54 33.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 110.04 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.469 ' CG2' HG22 ' A' ' 18' ' ' THR . 42.7 mt -85.17 118.98 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.482 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 9.1 mt -92.21 -39.95 11.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -143.27 152.62 41.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.469 HG22 ' CG2' ' A' ' 15' ' ' ILE . 29.9 p -133.96 138.43 45.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.418 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 7.2 p90 -161.45 178.48 9.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.078 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 m -116.14 163.03 16.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.415 HG23 ' CG2' ' A' ' 30' ' ' VAL . 3.2 m -130.35 161.3 40.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.8 m -121.39 137.17 54.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.369 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -138.34 99.31 3.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.34 -51.07 4.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -170.56 -44.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 0.761 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 163.35 9.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.92 107.44 11.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 3.5 mp -93.2 135.95 25.05 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.416 ' CG ' ' HA ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -74.99 147.53 34.08 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.799 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.415 ' CG2' HG23 ' A' ' 21' ' ' VAL . 51.5 t -143.07 156.03 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.529 ' HB1' ' CD2' ' A' ' 90' ' ' PHE . . . -141.18 115.27 9.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -82.75 102.98 11.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.2 p -113.26 163.68 14.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 108.304 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.482 ' HB2' ' CD1' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -126.25 121.33 32.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.5 t -61.29 108.87 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -86.97 -40.86 14.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.54 138.97 38.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.9 -148.73 41.89 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.448 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 11.7 pt20 -146.47 172.26 13.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.783 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.4 mt -117.23 124.72 49.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -107.95 123.85 49.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.476 ' CG ' ' HB3' ' A' ' 63' ' ' LEU . 0.8 OUTLIER -71.06 75.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 110.296 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -178.5 -48.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.594 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -55.63 -170.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.598 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 1.2 mttm -102.8 165.91 10.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.598 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 18.9 m-85 -149.68 169.73 20.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -163.07 151.53 14.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.41 ' O ' ' CD1' ' A' ' 55' ' ' ILE . 24.0 tp -104.38 122.82 46.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.535 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 1.7 mp -107.34 122.19 61.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.454 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 24.8 ttm180 -127.36 111.61 14.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 11.4 t-20 79.1 -0.65 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.08 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.8 -13.15 22.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -99.44 148.08 24.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.74 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.5 t -86.21 136.32 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.359 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.423 HD11 ' N ' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -110.29 -43.23 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.489 ' CE2' ' HB3' ' A' ' 83' ' ' LEU . 66.1 t90 -126.82 135.33 50.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 107.986 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.79 129.64 28.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 153.53 -159.57 28.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.4 p -101.05 159.44 15.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 0.743 . . . . 0.0 109.965 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.523 ' HG ' ' CD1' ' A' ' 46' ' ' PHE . 88.6 mt -81.67 163.73 22.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 25.7 p -109.56 -23.78 11.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -160.99 156.5 24.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.476 ' HB3' ' CG ' ' A' ' 42' ' ' ARG . 1.2 tp -165.62 128.82 2.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -138.7 146.53 41.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.57 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.438 ' CG2' HD12 ' A' ' 73' ' ' ILE . 10.4 tt -90.17 166.38 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.6 t -115.98 -38.47 3.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.009 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.2 t -106.59 143.58 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.448 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 46.1 mm -127.49 114.88 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -73.11 -177.88 2.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 43.5 m -78.34 143.96 36.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.373 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.96 3.6 88.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.3 mmm -97.4 129.83 44.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.783 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.41 138.23 31.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 27.0 p -153.36 160.9 42.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 108.306 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -121.16 134.78 10.31 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 pp -121.39 161.81 21.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.776 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.2 p -138.8 143.7 39.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.018 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.566 HD12 ' CE1' ' A' ' 90' ' ' PHE . 8.8 mt -98.74 143.33 29.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.64 -45.82 90.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 86' ' ' GLU . 8.8 tp10 -44.79 -63.6 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.532 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER 88.88 -17.69 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.254 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.34 -25.3 27.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.426 ' CG2' ' HB2' ' A' ' 56' ' ' TRP . 94.9 t -78.85 106.87 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -91.42 137.5 32.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.566 ' CE1' HD12 ' A' ' 83' ' ' LEU . 1.6 m-85 -86.79 -178.13 6.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.437 ' CG ' ' OD1' ' A' ' 94' ' ' ASP . 0.1 OUTLIER -165.1 155.15 11.94 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 93.34 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.538 1.809 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 151.3 -20.58 0.94 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.437 ' OD1' ' CG ' ' A' ' 91' ' ' LYS . 70.8 m-20 -67.69 -175.12 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -137.8 160.19 39.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.8 t -137.47 100.0 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.56 ' CD1' ' N ' ' A' ' 97' ' ' ILE . 1.3 mp -87.9 115.08 27.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.2 t -96.12 98.22 10.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 108.328 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.1 p90 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.874 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.409 ' CD1' ' HA ' ' A' ' 99' ' ' TYR . 4.2 mt -67.35 -46.95 82.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -152.03 137.94 6.21 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -117.27 121.25 40.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 0.736 . . . . 0.0 110.257 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.05 151.35 28.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.0 132.26 53.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.474 ' CG2' HG23 ' A' ' 18' ' ' THR . 71.7 mt -75.9 119.6 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 8.8 mt -95.33 -35.39 11.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.23 155.65 43.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.474 HG23 ' CG2' ' A' ' 15' ' ' ILE . 42.8 p -137.27 141.57 41.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.428 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.639 ' CE1' ' CG1' ' A' ' 30' ' ' VAL . 13.3 p90 -158.79 179.0 9.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 m -125.19 163.55 22.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.387 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.463 ' CG2' HG22 ' A' ' 30' ' ' VAL . 7.0 m -139.62 158.18 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.3 m -107.8 137.89 45.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.37 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.43 ' HG3' ' CG1' ' A' ' 28' ' ' ILE . 1.2 mm-40 -134.03 99.05 4.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.06 -50.87 4.01 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.477 1.11 . . . . 0.0 111.014 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -169.71 -42.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 0.781 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.463 ' CG ' ' N ' ' A' ' 27' ' ' LYS . 23.8 ttpt -71.27 163.0 28.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.463 ' N ' ' CG ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -108.8 127.53 54.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.43 ' CG1' ' HG3' ' A' ' 23' ' ' GLU . 26.6 mm -104.72 125.25 34.42 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 122.7 7.37 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.639 ' CG1' ' CE1' ' A' ' 19' ' ' PHE . 78.9 t -113.28 158.03 13.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.427 ' HB1' ' CD2' ' A' ' 90' ' ' PHE . . . -143.52 123.41 13.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.92 120.06 37.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.6 p -131.58 149.36 52.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 108.287 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.459 ' HB2' ' CD1' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -111.97 120.83 43.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.7 t -56.12 109.6 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -86.75 -41.78 13.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -144.6 135.0 24.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.69 -156.43 36.68 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -141.09 165.38 27.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 72.5 mt -117.2 124.73 49.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.254 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -110.72 142.71 42.27 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.52 1.137 . . . . 0.0 110.247 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.75 68.56 7.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.352 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -169.53 -54.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.611 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -53.46 176.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.477 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.5 OUTLIER -94.66 172.14 8.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.548 ' CE2' HD12 ' A' ' 60' ' ' LEU . 45.0 m-85 -147.78 174.35 11.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.404 ' CE ' ' HB ' ' A' ' 97' ' ' ILE . 5.0 pttt -161.94 144.83 11.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.448 ' O ' ' CD1' ' A' ' 55' ' ' ILE . 14.1 tp -104.17 112.81 25.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.433 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 2.7 mp -102.29 120.7 52.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.455 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 8.9 ttm180 -125.95 111.58 14.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 4.6 t30 78.91 1.52 2.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.99 -14.47 26.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -99.79 148.19 24.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.3 t -86.71 137.67 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.448 ' CD1' ' O ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -111.89 -41.9 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.515 ' CE2' ' HB3' ' A' ' 83' ' ' LEU . 38.1 t90 -131.66 138.45 48.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 107.957 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.27 137.55 39.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 142.86 -162.64 27.43 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.488 1.118 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.0 m -98.65 156.25 16.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.768 . . . . 0.0 110.044 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.548 HD12 ' CE2' ' A' ' 46' ' ' PHE . 10.2 mt -82.04 160.27 23.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.9 p -95.32 -17.14 21.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.388 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.9 m -161.03 167.39 26.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.009 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.3 tp -169.92 106.57 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -120.48 169.29 10.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.518 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 1.4 t60 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.558 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.1 tt -95.98 169.68 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.6 t -117.28 -37.21 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.982 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.1 t -120.91 137.21 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.9 mm -116.07 128.01 73.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -85.36 177.13 7.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.1 m -75.71 140.93 42.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.375 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.415 ' HA2' ' NE ' ' A' ' 34' ' ' ARG . . . 84.63 -4.2 85.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.2 mmm -93.79 130.94 39.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 111.029 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.419 ' O ' ' ND1' ' A' ' 65' ' ' HIS . 3.1 m-20 -83.38 144.49 29.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 10.1 p -157.62 154.35 28.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 108.291 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -118.48 144.59 18.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.555 1.16 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.1 pp -139.38 164.25 30.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 43.8 p -149.75 146.51 27.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.011 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.515 ' HB3' ' CE2' ' A' ' 56' ' ' TRP . 3.5 mt -99.13 138.66 35.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -47.35 -29.65 2.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -85.26 134.93 34.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.345 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.88 -22.81 17.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.332 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -57.7 -45.09 86.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.452 HG13 ' CD1' ' A' ' 83' ' ' LEU . 8.9 p -68.55 126.32 28.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.36 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.421 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 19.7 tt0 -121.47 132.7 54.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.427 ' CD2' ' HB1' ' A' ' 31' ' ' ALA . 1.5 m-85 -82.95 -179.57 7.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.422 ' CG ' ' O ' ' A' ' 90' ' ' PHE . 16.3 mtmt -166.48 157.16 11.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 54.61 3.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.513 1.797 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.74 33.34 0.08 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 0.4 OUTLIER -116.3 -168.0 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -145.85 145.78 30.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.274 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 18.2 t -129.42 98.28 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.404 ' HB ' ' CE ' ' A' ' 47' ' ' LYS . 21.9 mm -88.75 126.59 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 8.4 t -108.66 100.34 9.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 108.329 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.409 ' HA ' ' CD1' ' A' ' 10' ' ' ILE . 41.8 p90 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.0 mt -73.9 -45.91 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -168.97 152.37 19.95 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -112.75 126.75 55.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 0.734 . . . . 0.0 110.331 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.43 164.9 12.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.19 130.25 40.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.964 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.467 ' CG2' HG21 ' A' ' 18' ' ' THR . 30.0 mt -73.98 115.47 15.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.471 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 23.6 mt -89.9 -35.92 15.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -148.45 158.33 44.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.467 HG21 ' CG2' ' A' ' 15' ' ' ILE . 25.9 p -140.45 141.22 35.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.433 ' CZ ' HG12 ' A' ' 30' ' ' VAL . 9.7 p90 -160.91 177.04 10.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -115.04 163.37 15.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.384 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.457 HG23 ' CG2' ' A' ' 30' ' ' VAL . 6.0 m -134.02 158.96 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.8 m -116.84 135.88 53.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.453 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -138.71 99.31 3.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.9 -49.17 4.03 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -173.14 -44.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.77 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 170.74 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.96 103.31 6.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.417 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 3.3 mp -90.3 129.31 45.96 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 28' ' ' ILE . 18.3 Cg_endo -75.0 140.57 25.61 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.457 ' CG2' HG23 ' A' ' 21' ' ' VAL . 42.2 t -129.26 147.82 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.523 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -133.23 114.07 13.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.76 117.47 23.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.8 p -129.65 151.6 50.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 108.328 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.471 ' HB2' ' CD1' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -114.59 124.05 50.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.54 HG22 ' CD2' ' A' ' 40' ' ' LEU . 79.4 t -63.33 104.11 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -80.12 -41.21 25.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -137.4 146.84 44.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.581 1.175 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.25 -128.56 11.72 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.533 1.146 . . . . 0.0 111.032 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -161.1 164.68 30.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 0.727 . . . . 0.0 110.282 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.54 ' CD2' HG22 ' A' ' 35' ' ' VAL . 4.8 mp -114.1 123.97 50.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.451 ' O ' ' CD2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -96.21 -179.99 4.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.13 -35.75 6.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.275 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -90.06 -43.85 10.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.578 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -41.02 157.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -84.56 166.72 16.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.559 ' CD1' ' HG ' ' A' ' 60' ' ' LEU . 91.0 m-85 -151.6 178.27 9.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.485 ' HE2' ' CE1' ' A' ' 99' ' ' TYR . 3.0 pttt -163.64 148.29 10.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.5 ' O ' ' CD1' ' A' ' 55' ' ' ILE . 35.7 tp -103.78 119.61 39.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.497 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 2.0 mp -104.98 123.93 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 16.6 ttm180 -131.81 111.86 11.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 1.4 t-20 81.98 -1.22 1.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.63 -10.79 28.01 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.494 1.121 . . . . 0.0 110.934 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -104.14 147.87 26.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 0.79 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 t -83.31 140.81 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -114.32 -41.5 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.496 ' CE2' ' HB3' ' A' ' 83' ' ' LEU . 63.9 t90 -126.43 138.17 53.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.014 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.427 ' CD ' ' N ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -138.04 133.42 33.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 149.83 -140.89 8.37 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 p -124.22 149.22 46.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.762 . . . . 0.0 110.015 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.559 ' HG ' ' CD1' ' A' ' 46' ' ' PHE . 25.8 mt -69.17 154.8 41.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 82.7 p -91.86 -19.0 22.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.39 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.9 m -167.21 158.05 11.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.451 ' CD2' ' O ' ' A' ' 41' ' ' GLU . 15.4 tp -156.64 102.87 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -114.48 142.1 46.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.565 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.412 ' CG2' HD11 ' A' ' 73' ' ' ILE . 17.1 tt -88.32 163.15 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.4 t -114.93 -33.81 5.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.945 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.0 t -111.3 145.11 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.412 HD11 ' CG2' ' A' ' 70' ' ' ILE . 6.7 mm -129.22 113.51 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -70.2 173.75 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.8 m -72.1 131.41 42.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.7 2.12 63.3 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.9 mmm -101.55 134.56 44.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 0.782 . . . . 0.0 111.015 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -86.79 149.59 24.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 12.2 p -163.23 154.08 16.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 108.328 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -118.26 133.87 10.63 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.458 ' CD1' HD22 ' A' ' 60' ' ' LEU . 4.6 pp -125.58 160.68 28.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.6 m -145.3 134.55 22.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.496 ' HB3' ' CE2' ' A' ' 56' ' ' TRP . 6.0 mt -87.23 144.02 27.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -57.16 -20.56 27.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -95.24 131.72 40.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -90.01 -26.83 20.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.278 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.4 mtmm -53.91 -45.8 71.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.443 HG12 ' CD1' ' A' ' 83' ' ' LEU . 9.3 p -66.96 135.25 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -128.88 138.28 51.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.523 ' CD2' ' HB2' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -91.0 -176.02 4.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.977 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.41 ' N ' HG23 ' A' ' 18' ' ' THR . 0.0 OUTLIER -174.07 158.37 2.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 55.47 3.97 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.532 1.806 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.47 34.23 0.09 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -124.2 -178.95 4.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -130.94 151.47 51.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.4 t -127.97 99.31 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 20.5 mm -88.83 116.52 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.543 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 10.5 t -97.64 98.72 10.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 108.342 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.485 ' CE1' ' HE2' ' A' ' 47' ' ' LYS . 18.9 p90 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.36 128.86 38.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 0.768 . . . . 0.0 110.014 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.17 114.51 28.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.103 . . . . 0.0 109.992 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.96 125.36 0.82 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.416 1.072 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -82.86 171.12 14.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 110.003 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.6 t -75.95 109.39 9.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.77 -140.61 3.19 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -160.0 153.49 18.87 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.463 ' HB3' ' CG2' ' A' ' 97' ' ' ILE . 18.3 Cg_endo -75.04 131.68 14.52 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.503 1.791 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.3 mt -77.89 -44.34 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -165.31 143.62 8.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -103.03 134.75 45.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 110.306 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.29 135.95 50.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.6 m -106.25 145.21 31.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.469 ' CG2' HG22 ' A' ' 18' ' ' THR . 37.3 mt -88.0 117.11 31.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 8.0 mt -90.32 -36.65 14.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.37 159.89 42.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.469 HG22 ' CG2' ' A' ' 15' ' ' ILE . 29.8 p -140.2 134.81 31.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 110.383 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.431 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 10.8 p90 -154.07 176.92 11.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -117.42 162.88 17.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 110.388 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.456 HG21 ' CG2' ' A' ' 30' ' ' VAL . 5.7 m -134.66 159.3 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.1 m -114.8 138.9 50.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.404 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -140.32 99.33 3.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.23 -48.16 3.98 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -174.67 -46.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.53 170.31 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -127.34 99.43 5.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.407 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 3.4 mp -90.18 126.42 56.99 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 28' ' ' ILE . 18.3 Cg_endo -75.02 145.62 31.58 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.548 1.815 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.456 ' CG2' HG21 ' A' ' 21' ' ' VAL . 47.5 t -130.65 150.55 34.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.2 117.22 20.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.61 119.94 30.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.2 p -132.37 146.64 52.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 108.288 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.463 ' HB2' ' CD1' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -109.55 116.81 32.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.0 t -55.42 113.81 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -89.42 -33.23 16.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.324 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -151.71 136.08 16.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.53 -153.05 36.45 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -146.42 172.32 13.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 110.338 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 71.7 mt -117.11 124.54 49.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.1 122.42 46.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.469 ' HG2' ' CD2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -70.87 77.56 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.311 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -178.51 -51.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.653 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -57.11 -172.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.554 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 2.9 mmtp -100.83 163.37 12.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.554 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 7.0 m-85 -143.38 173.65 11.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -163.6 149.31 11.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.54 HD21 ' CD2' ' A' ' 90' ' ' PHE . 28.2 tp -104.1 119.6 39.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.475 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 2.3 mp -105.86 117.78 52.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 9.4 ttm180 -124.46 111.87 16.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.26 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.471 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 22.6 t30 80.11 -0.83 2.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.46 -14.62 22.72 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.545 1.153 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -99.02 147.55 24.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 0.742 . . . . 0.0 110.272 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 t -86.42 138.19 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.463 ' CD1' ' O ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -111.21 -42.2 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.542 ' CE3' HD21 ' A' ' 83' ' ' LEU . 54.5 t90 -128.26 137.71 52.11 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.71 124.94 21.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.499 ' O ' ' CH2' ' A' ' 56' ' ' TRP . . . 151.64 -164.33 30.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -95.49 146.52 24.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.531 HD11 ' CZ ' ' A' ' 46' ' ' PHE . 3.8 mt -65.28 171.22 3.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.0 p -106.69 -27.73 10.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 m -161.11 151.56 17.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 109.994 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.469 ' CD2' ' HG2' ' A' ' 42' ' ' ARG . 12.6 tp -147.44 136.81 22.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -144.88 149.65 35.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 42.2 t60 -112.79 50.33 0.88 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.615 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.46 ' CE1' ' HB2' ' A' ' 78' ' ' ASP . 5.6 m170 62.41 103.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.6 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 66' ' ' HIS . 24.9 ttmt 40.02 70.29 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 169.9 101.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.99 82.76 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.461 ' CG2' HD11 ' A' ' 73' ' ' ILE . 11.0 tt -91.74 170.67 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.4 m -115.58 -43.19 3.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.996 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.7 t -114.77 143.49 24.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.461 HD11 ' CG2' ' A' ' 70' ' ' ILE . 31.2 mm -118.22 111.94 36.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -72.03 -176.77 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.9 m -77.13 145.13 37.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.376 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.41 8.13 87.67 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.546 1.154 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -102.31 131.77 48.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.757 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.46 ' HB2' ' CE1' ' A' ' 66' ' ' HIS . 0.5 OUTLIER -92.61 132.15 37.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 21.1 p -145.32 157.66 44.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 108.281 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -123.49 125.58 5.95 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.6 pp -114.85 150.8 34.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 0.753 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.3 m -130.93 134.44 46.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.999 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.542 HD21 ' CE3' ' A' ' 56' ' ' TRP . 20.9 mt -89.47 151.19 22.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -71.54 -30.03 65.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.95 73.31 10.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -38.83 -34.5 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -43.59 -48.54 7.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 56' ' ' TRP . 87.4 t -59.59 140.89 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -127.72 147.29 50.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.54 ' CD2' HD21 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -106.03 -175.42 2.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.476 ' CG ' ' OD1' ' A' ' 94' ' ' ASP . 3.2 pttt -175.15 159.34 2.21 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 56.03 4.09 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.798 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -175.26 33.6 0.1 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.444 1.09 . . . . 0.0 111.04 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.476 ' OD1' ' CG ' ' A' ' 91' ' ' LYS . 13.0 m-20 -121.2 -171.82 2.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -143.44 148.14 35.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 17.2 t -126.09 98.35 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.463 ' CG2' ' HB3' ' A' ' 9' ' ' PRO . 11.7 mm -94.99 123.51 47.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.7 t -105.7 95.22 5.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 108.303 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -107.51 169.36 8.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -109.04 136.7 48.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -110.82 115.24 29.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -179.15 -66.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.38 -170.72 3.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.475 ' CG2' ' HD2' ' A' ' 105' ' ' PRO . 3.5 p -125.82 142.25 41.65 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 104' ' ' VAL . 18.2 Cg_endo -75.02 -177.65 3.62 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.87 -30.02 7.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.341 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 57.81 103.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.7 p -136.0 71.55 1.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.404 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 81.0 p -179.71 125.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.01 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -136.35 117.14 14.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -174.28 115.51 0.32 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 175.33 11.39 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.494 1.786 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 170.06 117.94 0.44 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.579 1.175 . . . . 0.0 110.992 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -133.01 164.3 27.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 0.732 . . . . 0.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.45 133.6 1.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.983 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 174.65 73.99 0.05 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.477 1.11 . . . . 0.0 111.029 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 172.84 15.58 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.37 145.25 33.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 68.9 m -148.15 161.72 40.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.985 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.535 1.147 . . . . 0.0 111.021 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.86 128.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.973 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.1 t -139.95 163.14 33.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 110.014 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.7 114.54 0.89 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.6 m -139.25 111.39 7.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.76 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -129.16 123.51 32.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.017 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.91 -173.37 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -112.2 155.7 43.12 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.475 0.75 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.39 12.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.472 1.775 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.6 mt -68.64 -44.31 82.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -170.62 149.12 12.14 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -103.41 152.88 21.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.06 137.68 33.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.0 m -107.53 147.66 30.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.021 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.418 HD12 ' CD1' ' A' ' 48' ' ' LEU . 57.8 mt -91.93 121.03 42.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.482 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 10.0 mt -94.44 -39.1 10.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.02 155.8 44.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.42 HG21 ' N ' ' A' ' 91' ' ' LYS . 33.9 p -135.49 135.55 40.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.415 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.552 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 13.7 p90 -153.39 -177.39 6.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 m -124.26 162.94 22.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.408 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.452 HG22 ' CG2' ' A' ' 30' ' ' VAL . 6.0 m -133.63 159.17 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.9 m -114.52 139.41 49.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.376 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -139.94 99.35 3.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.78 -53.74 4.34 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -164.88 -46.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 0.794 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 168.74 3.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.0 107.27 9.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.415 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 4.0 mp -90.94 129.34 44.5 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 28' ' ' ILE . 18.3 Cg_endo -74.97 132.0 14.96 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.526 1.803 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.552 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 43.7 t -117.75 152.98 19.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.468 ' CB ' ' CG ' ' A' ' 90' ' ' PHE . . . -133.32 116.85 16.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.24 113.52 23.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.4 p -125.76 149.72 48.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 108.297 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.482 ' HB2' ' CD1' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -110.7 124.7 52.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.456 ' CG2' HG22 ' A' ' 73' ' ' ILE . 46.0 t -62.42 111.68 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.539 1.15 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -89.8 -32.42 16.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.8 pttt -148.22 150.19 33.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.9 -138.77 44.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.445 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 1.3 pt20 -148.65 173.62 13.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 0.794 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.439 ' CD1' HG22 ' A' ' 35' ' ' VAL . 71.8 mt -117.25 124.59 49.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.516 ' CB ' ' CG ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -88.98 178.75 6.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.12 -56.74 2.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -73.09 -36.88 66.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.643 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.516 ' CG ' ' CB ' ' A' ' 41' ' ' GLU . 38.4 mmtt -42.09 162.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.568 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -93.36 158.72 15.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.568 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 25.0 m-85 -148.17 177.71 9.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.423 ' HA ' ' CE3' ' A' ' 56' ' ' TRP . 21.5 pttt -162.46 154.24 18.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.418 ' CD1' HD12 ' A' ' 15' ' ' ILE . 18.1 tp -104.48 119.17 38.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.519 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 2.1 mp -106.96 117.13 52.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.432 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 12.0 ttp85 -124.67 113.17 17.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 0.9 OUTLIER 77.19 6.7 3.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.31 -13.45 48.0 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.42 1.075 . . . . 0.0 110.969 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -97.87 150.98 20.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 0.808 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 t -93.06 129.2 43.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.427 HD11 ' CB ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -103.09 -39.96 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.563 ' CE3' HD21 ' A' ' 83' ' ' LEU . 54.2 t90 -128.78 136.61 50.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 108.003 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.91 131.53 31.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 153.29 -143.13 9.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 p -119.48 148.62 43.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 0.784 . . . . 0.0 109.997 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.53 HD13 ' CE1' ' A' ' 46' ' ' PHE . 12.3 mt -70.44 154.01 42.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.9 p -96.83 -26.57 15.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 110.367 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.3 m -146.16 167.67 22.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.5 tp -174.75 107.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -126.86 155.1 43.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.49 ' O ' ' CG ' ' A' ' 65' ' ' HIS . 1.2 t60 -100.56 77.6 1.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.607 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.1 t60 78.41 -59.17 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.596 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -162.0 53.17 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -159.41 128.1 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.14 82.39 2.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.5 tt -95.8 168.9 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.6 m -116.35 -36.05 4.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.974 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 t -119.87 135.67 59.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.456 HG22 ' CG2' ' A' ' 35' ' ' VAL . 14.5 mm -116.65 119.77 62.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -73.44 -177.57 2.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.7 m -78.91 145.85 33.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 75.67 3.35 72.49 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.7 mmm -96.3 130.91 43.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.68 143.56 27.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 23.4 p -159.19 158.24 32.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 108.352 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -123.99 130.09 7.47 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.6 pp -120.05 159.56 24.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.735 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 43.8 p -138.1 147.67 44.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.982 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.563 HD21 ' CE3' ' A' ' 56' ' ' TRP . 9.0 mt -99.42 148.31 24.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -59.11 -20.29 52.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -98.81 134.75 41.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.333 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -91.93 -29.92 16.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.54 -43.66 65.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.405 HG11 ' CD1' ' A' ' 83' ' ' LEU . 12.5 p -67.43 128.79 31.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -124.68 132.07 53.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.493 ' CE1' HD11 ' A' ' 83' ' ' LEU . 1.3 m-85 -83.03 168.35 17.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.42 ' N ' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -153.13 157.81 32.92 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.354 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 55.17 3.85 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.77 34.07 0.08 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.442 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 0.1 OUTLIER -119.64 -168.81 1.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 109.295 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -142.72 153.76 43.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.8 t -134.76 99.95 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.555 ' CD1' ' N ' ' A' ' 97' ' ' ILE . 1.3 mp -87.06 120.12 35.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.438 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 12.2 t -100.55 100.16 10.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 108.306 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.4 p90 -126.77 174.01 9.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -119.99 144.91 47.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.338 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.58 83.64 6.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -179.09 163.74 1.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -134.58 120.47 19.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.8 m -130.9 154.47 81.97 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 107.0 2.38 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.494 1.786 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.0 t -150.39 146.8 26.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.357 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -123.96 116.86 23.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.346 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.3 t -120.75 152.47 38.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.142 . . . . 0.0 110.369 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 94.2 p -139.61 81.25 1.82 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.962 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -137.48 84.78 2.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 108.014 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.6 p-10 -61.06 141.09 93.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 113.17 3.73 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 178.98 65.55 0.07 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.13 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -122.16 117.97 27.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.7 m -145.55 102.72 3.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.985 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 170.84 68.77 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 156.36 43.02 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.528 1.804 . . . . 0.0 111.013 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.0 t -173.56 -59.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 17.8 p -169.58 132.78 1.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.962 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.422 1.076 . . . . 0.0 110.98 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.71 -59.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 0.743 . . . . 0.0 110.027 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.9 148.86 50.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.965 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.73 92.99 2.29 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.97 -56.77 3.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 0.784 . . . . 0.0 109.958 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.0 m -82.77 -59.53 2.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.025 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.88 -122.33 0.69 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.472 1.107 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -152.58 162.13 27.32 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 126.07 9.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.79 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.439 ' CD1' ' HA ' ' A' ' 99' ' ' TYR . 5.6 mt -70.76 -48.55 56.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -158.83 144.25 10.12 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -108.81 141.79 40.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 110.329 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.4 144.25 51.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 m -114.75 139.62 49.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.027 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.458 ' CG2' HG22 ' A' ' 18' ' ' THR . 51.9 mt -86.05 120.48 36.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.2 mt -95.68 -35.32 11.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -145.09 160.38 41.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.458 HG22 ' CG2' ' A' ' 15' ' ' ILE . 29.9 p -145.69 136.75 24.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.374 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.505 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 9.1 p90 -153.96 -178.94 7.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.2 m -118.55 163.65 16.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.44 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.45 HG21 ' CG2' ' A' ' 30' ' ' VAL . 7.5 m -135.36 158.67 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.4 m -122.6 125.47 45.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.345 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -151.67 98.97 2.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.89 54.73 3.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? 51.64 26.89 3.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 109.257 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -114.76 163.25 15.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.47 92.31 3.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 23' ' ' GLU . 3.6 mp -95.69 118.98 65.77 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 117.74 5.03 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 111.005 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.505 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 78.1 t -100.6 157.41 4.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -138.66 118.33 13.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.07 122.76 35.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.5 p -133.4 156.9 46.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 108.302 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.21 121.15 42.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.45 ' CG2' HG23 ' A' ' 73' ' ' ILE . 23.8 t -54.21 117.75 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -95.36 -30.27 14.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt -155.22 143.07 19.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.66 -149.05 51.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.475 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 8.1 pt20 -143.29 175.82 9.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 67.7 mt -117.46 124.4 48.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' HIS . 33.4 mt-10 -107.57 118.1 35.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.448 ' CG ' ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -64.63 75.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.338 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' GLU . 2.0 t60 179.03 -47.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.575 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -53.59 -179.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 46' ' ' PHE . 2.7 tttt -98.35 140.34 32.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.563 ' CE2' HD13 ' A' ' 60' ' ' LEU . 12.0 m-85 -124.41 169.88 11.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -163.61 150.13 11.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.413 HD12 ' CB ' ' A' ' 94' ' ' ASP . 27.2 tp -104.12 120.34 40.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.522 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 2.0 mp -107.19 115.79 49.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.472 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 7.7 ttm180 -124.0 112.86 17.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 9.8 t-20 79.88 -0.06 2.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.4 -14.79 25.22 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.544 1.152 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -98.59 148.06 24.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 0.765 . . . . 0.0 110.313 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.3 t -88.96 131.45 36.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -103.96 -39.71 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.561 ' CE3' HD21 ' A' ' 83' ' ' LEU . 63.8 t90 -131.03 135.03 47.22 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.84 115.0 10.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.456 ' O ' ' CH2' ' A' ' 56' ' ' TRP . . . 165.73 -164.55 37.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.0 m -95.84 152.72 18.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 110.015 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.563 HD13 ' CE2' ' A' ' 46' ' ' PHE . 11.3 mt -75.03 158.25 33.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.357 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 58.0 p -97.53 -25.57 15.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.402 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.77 154.87 26.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.975 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.448 ' HB3' ' CG ' ' A' ' 42' ' ' ARG . 9.9 tp -154.78 126.91 7.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -139.7 152.28 46.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.585 ' CD2' ' O ' ' A' ' 78' ' ' ASP . 43.7 t-80 -100.86 67.05 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.593 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 79.88 -60.3 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.562 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.5 76.29 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 171.68 126.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.17 82.78 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.8 tt -94.36 171.15 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.9 t -118.24 -41.47 2.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.6 t -111.55 145.13 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.475 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 15.4 mm -127.56 119.72 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -82.56 179.94 7.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 33.3 m -74.87 147.14 41.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.98 -2.11 76.52 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.115 . . . . 0.0 110.967 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 84.6 mtp -100.22 127.93 46.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.585 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 5.6 m-20 -84.79 146.1 27.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 10.1 p -155.24 154.79 32.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 108.291 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -121.68 133.78 9.63 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.531 1.145 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.459 ' CD1' HD22 ' A' ' 60' ' ' LEU . 4.2 pp -126.0 148.24 49.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.776 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.7 m -129.02 135.34 48.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.561 HD21 ' CE3' ' A' ' 56' ' ' TRP . 24.6 mt -87.37 153.25 21.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.07 -28.2 64.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.44 85.09 5.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -49.0 -24.67 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.01 -45.58 64.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 61.9 t -67.43 126.83 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -118.12 130.58 56.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.27 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.423 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 2.4 m-85 -79.56 -164.5 0.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.423 ' CG ' ' O ' ' A' ' 90' ' ' PHE . 0.8 OUTLIER 178.24 154.19 0.5 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 54.88 3.79 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.36 33.86 0.09 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.413 ' CB ' HD12 ' A' ' 48' ' ' LEU . 4.2 m-20 -120.68 -170.81 2.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 0.77 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -142.74 150.31 39.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.4 t -130.35 98.3 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.488 ' CD1' ' N ' ' A' ' 97' ' ' ILE . 1.5 mp -88.84 117.75 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 8.5 t -97.81 101.94 13.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.251 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.554 ' CE2' ' HG3' ' A' ' 101' ' ' GLU . 3.0 p90 -143.09 176.2 9.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -122.97 133.16 54.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.554 ' HG3' ' CE2' ' A' ' 99' ' ' TYR . 3.4 mt-10 -94.2 87.26 5.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -151.69 126.56 9.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -75.14 118.84 18.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.6 p -147.63 139.51 13.94 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 135.98 19.69 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.47 1.774 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.7 t -167.45 152.74 7.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.368 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.45 102.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.7 m -156.91 137.45 13.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.376 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.7 t -80.2 -55.58 4.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.989 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 69.85 162.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -133.6 145.82 57.87 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 117.02 4.76 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.507 1.793 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -173.15 104.37 0.2 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.105 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -157.31 140.71 15.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 0.781 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.55 111.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -128.37 -145.27 6.0 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.112 . . . . 0.0 111.031 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 178.46 7.21 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.04 -61.2 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.996 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 38.1 t -136.36 134.84 38.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.1 m 60.97 86.46 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 0.749 . . . . 0.0 110.014 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.05 168.04 10.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.989 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.47 -124.83 0.73 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.1 p -92.56 124.64 36.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 110.019 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 p -168.7 125.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.75 -92.77 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 8' ' ' TYR . 10.6 p90 -156.01 156.84 30.93 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 111.048 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 127.48 10.69 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.447 1.762 . . . . 0.0 110.956 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.9 mt -72.3 -45.31 61.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -168.46 140.53 6.24 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.493 1.121 . . . . 0.0 111.056 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -100.66 147.52 25.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 110.255 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -133.07 144.84 50.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.57 134.93 54.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.955 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.457 HG22 ' CG2' ' A' ' 18' ' ' THR . 54.7 mt -82.64 125.12 39.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.5 mt -102.02 -36.67 8.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.78 148.76 41.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.457 ' CG2' HG22 ' A' ' 15' ' ' ILE . 69.4 p -133.85 134.55 42.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.396 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.456 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 10.3 p90 -155.08 177.55 11.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.958 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -119.03 162.88 17.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.46 HG21 ' CG2' ' A' ' 30' ' ' VAL . 6.9 m -134.91 157.91 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 55.8 m -114.74 141.52 47.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -143.91 99.34 3.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 110.318 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.37 -49.13 4.09 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -170.23 -54.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.76 170.47 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.78 108.44 10.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.408 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 4.2 mp -89.62 126.35 58.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 28' ' ' ILE . 18.2 Cg_endo -75.03 128.75 11.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.46 ' CG2' HG21 ' A' ' 21' ' ' VAL . 50.6 t -116.52 150.51 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.69 126.11 31.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.89 121.22 41.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.5 p -135.63 152.6 51.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 108.283 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -108.9 118.66 37.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.456 ' CG2' HG23 ' A' ' 73' ' ' ILE . 77.2 t -53.06 110.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.37 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -83.19 -39.79 20.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.7 pttp -147.2 142.24 27.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.98 -151.18 42.09 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -140.96 175.97 9.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 0.0 110.299 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 63.8 mt -117.31 125.04 50.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -110.5 127.71 55.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.304 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.98 67.88 1.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -178.68 -49.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.544 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -49.23 176.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.509 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 1.3 mttt -93.7 150.58 20.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.6 ' CZ ' ' SG ' ' A' ' 98' ' ' CYS . 11.1 m-85 -142.26 170.83 14.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.555 ' HE3' ' CE1' ' A' ' 99' ' ' TYR . 4.8 ptpt -161.75 152.93 18.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.418 HD21 ' CD1' ' A' ' 90' ' ' PHE . 32.1 tp -104.27 120.67 41.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.52 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 2.1 mp -108.61 114.88 47.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.57 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 8.8 ttm180 -123.69 111.13 15.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.57 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 13.0 t-20 88.47 -24.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 136.42 -13.62 4.0 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -101.65 149.24 24.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 0.742 . . . . 0.0 110.309 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.41 ' CG2' ' HD3' ' A' ' 47' ' ' LYS . 5.8 t -87.33 133.32 30.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.419 ' N ' HD13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -108.33 -42.01 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.522 ' CE2' ' HB3' ' A' ' 83' ' ' LEU . 82.0 t90 -124.59 135.8 53.43 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.06 118.83 14.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 159.16 -167.95 35.05 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 m -91.79 152.41 20.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 0.798 . . . . 0.0 109.991 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.414 HD12 ' CZ ' ' A' ' 46' ' ' PHE . 4.8 mt -73.16 164.85 26.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.1 p -103.35 -29.11 11.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 110.389 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 m -154.85 157.72 38.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.1 tp -160.35 115.23 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -124.99 164.89 19.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.431 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 6.4 t60 -105.42 59.31 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.612 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 76.14 -66.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.541 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -140.49 65.6 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 t0 175.41 115.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.61 83.79 0.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.7 tt -95.28 170.98 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.8 m -115.23 -40.83 3.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.9 t -110.66 147.57 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.456 HG23 ' CG2' ' A' ' 35' ' ' VAL . 17.0 mm -131.93 110.52 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -63.28 -172.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.2 m -81.15 160.82 24.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.414 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 56.37 19.47 25.76 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.0 mmm -103.66 138.15 40.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 0.774 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.88 132.48 39.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 22.0 p -153.05 160.75 42.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 108.345 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -117.16 136.23 12.49 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.1 pp -131.49 161.79 31.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 40.9 t -143.56 153.17 42.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.522 ' HB3' ' CE2' ' A' ' 56' ' ' TRP . 9.6 mt -102.77 143.66 32.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -49.27 -29.38 5.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -90.19 134.2 34.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.413 ' OE1' ' N ' ' A' ' 86' ' ' GLU . 6.8 pm0 -91.07 -31.35 16.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -45.39 62.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.0 p -64.36 125.54 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -121.4 130.11 53.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.449 ' CE1' HD13 ' A' ' 83' ' ' LEU . 2.2 m-85 -79.78 -172.61 3.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.998 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.503 ' CG ' ' OD1' ' A' ' 94' ' ' ASP . 2.0 pttt -174.73 158.09 2.32 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 57.18 4.51 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.526 1.803 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.75 34.14 0.08 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.503 ' OD1' ' CG ' ' A' ' 91' ' ' LYS . 12.4 m-20 -125.15 -173.59 2.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -140.83 152.49 45.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.344 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.9 t -131.58 98.35 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.487 ' CD1' ' N ' ' A' ' 97' ' ' ILE . 1.5 mp -88.19 117.9 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.6 ' SG ' ' CZ ' ' A' ' 46' ' ' PHE . 13.9 t -97.27 97.9 9.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 108.289 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.555 ' CE1' ' HE3' ' A' ' 47' ' ' LYS . 3.5 p90 -139.9 175.35 9.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.96 165.01 13.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -88.31 -59.77 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.25 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 177.79 120.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.46 64.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.485 ' CG1' ' HD2' ' A' ' 105' ' ' PRO . 2.3 t 67.5 141.84 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.485 ' HD2' ' CG1' ' A' ' 104' ' ' VAL . 18.4 Cg_endo -74.99 144.58 30.45 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.8 p -108.81 75.63 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.371 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -164.07 129.32 2.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.82 -56.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.43 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.32 162.48 27.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.42 ' O ' ' CB ' ' A' ' 111' ' ' ASP . 4.0 t-105 -172.57 116.17 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 107.979 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.509 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 0.0 OUTLIER 161.98 -51.72 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 111' ' ' ASP . 18.2 Cg_endo -75.03 150.19 37.65 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.513 1.796 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 148.27 82.77 0.04 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.522 1.138 . . . . 0.0 110.971 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -134.47 158.21 44.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 0.73 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.43 138.85 40.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.984 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -118.1 85.43 0.39 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 111.053 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 160.67 40.01 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.7 t -137.81 137.74 38.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 109.945 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.35 102.97 11.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.005 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.546 1.154 . . . . 0.0 111.017 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.942 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -159.35 149.67 19.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 0.744 . . . . 0.0 109.979 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -94.91 121.99 37.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.0 -133.52 1.68 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 m 60.23 168.12 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 0.769 . . . . 0.0 110.027 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.45 123.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.003 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.5 98.96 0.33 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.497 1.123 . . . . 0.0 111.041 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -67.58 151.36 97.23 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.454 0.737 . . . . 0.0 110.966 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 129.86 12.75 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.448 1.762 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.1 mt -73.1 -41.54 59.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 179.56 139.89 3.88 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -100.65 129.27 46.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.76 . . . . 0.0 110.292 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.58 147.36 36.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.64 135.42 54.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.065 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.448 ' CG2' HG22 ' A' ' 18' ' ' THR . 44.9 mt -80.05 120.0 30.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 31.0 mt -93.2 -38.98 11.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.01 155.24 43.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.448 HG22 ' CG2' ' A' ' 15' ' ' ILE . 30.9 p -135.84 135.59 39.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.364 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.571 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 12.0 p90 -154.84 -177.15 6.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 m -123.92 162.5 23.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.362 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 28' ' ' ILE . 6.6 m -131.99 156.21 42.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.1 m -111.05 131.85 54.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.418 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 28' ' ' ILE . 6.5 mm-40 -143.26 98.3 3.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.321 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.455 ' O ' ' HB2' ' A' ' 25' ' ' LYS . . . 64.49 61.71 5.72 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 24' ' ' GLY . 7.0 mttm 75.51 -55.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 0.794 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.56 160.83 1.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 pttt -132.62 107.28 8.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.473 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 4.2 mp -95.11 131.11 30.76 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 28' ' ' ILE . 18.4 Cg_endo -75.0 146.41 32.6 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.525 1.802 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.571 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 24.1 t -131.11 153.46 39.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.57 115.31 13.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.11 112.42 21.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.6 p -123.79 148.38 46.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 108.297 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.469 ' HB2' ' CD1' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -112.34 122.29 47.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.467 ' CG2' HG23 ' A' ' 73' ' ' ILE . 73.8 t -60.23 113.74 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -89.51 -43.55 10.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.62 135.59 38.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.83 -142.76 30.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -150.13 176.84 10.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 72.3 mt -117.28 124.81 49.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -115.8 121.51 42.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.438 ' CD ' ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -56.43 160.99 2.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.277 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.436 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 0.8 OUTLIER 83.7 -51.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.603 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -43.57 165.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.447 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -88.94 142.03 27.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 98' ' ' CYS . 7.8 m-85 -137.25 172.77 12.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.938 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -160.52 152.08 19.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.509 HD22 ' CD2' ' A' ' 90' ' ' PHE . 26.8 tp -104.4 116.69 32.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.479 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 2.4 mp -105.55 115.28 47.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.492 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 10.4 ttm180 -124.28 112.83 17.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 7.8 t-20 81.56 -0.49 1.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.85 -13.71 29.38 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.455 1.097 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -99.0 147.98 24.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.784 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 t -87.16 138.48 18.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -113.47 -41.94 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.355 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.569 ' CE3' HD21 ' A' ' 83' ' ' LEU . 57.8 t90 -129.63 136.03 49.26 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.17 118.5 14.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.512 ' O ' ' CH2' ' A' ' 56' ' ' TRP . . . 160.98 -166.89 35.79 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 p -94.0 152.49 18.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 110.023 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.468 ' CD2' HD11 ' A' ' 81' ' ' LEU . 6.5 mt -78.23 147.24 34.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.8 p -82.12 -23.09 35.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.438 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.2 m -165.03 154.83 13.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.438 ' HB3' ' CD ' ' A' ' 42' ' ' ARG . 2.3 tp -158.76 120.99 3.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -123.81 165.91 16.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.436 ' ND1' ' C ' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -95.1 -50.9 4.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.599 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -160.16 -49.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.633 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -157.24 54.03 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.158 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -174.79 154.24 1.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.32 81.26 6.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.8 tt -96.18 139.04 19.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.471 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 0.8 OUTLIER -103.14 27.94 6.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 71' ' ' SER . 12.6 t -159.81 143.87 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.467 HG23 ' CG2' ' A' ' 35' ' ' VAL . 20.8 mm -141.28 103.1 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.2 mttt -65.51 179.85 0.74 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 73.7 m -74.96 139.28 42.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.467 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.41 ' HA2' ' NE ' ' A' ' 34' ' ' ARG . . . 87.85 -10.23 71.09 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.9 mmm -86.54 126.66 34.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 0.771 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -83.95 143.11 30.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 25.5 p -156.27 159.39 38.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 108.324 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -126.77 145.14 15.56 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.468 HD11 ' CD2' ' A' ' 60' ' ' LEU . 4.4 pp -134.45 158.0 45.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.3 p -141.25 139.55 33.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.012 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.569 HD21 ' CE3' ' A' ' 56' ' ' TRP . 6.2 mt -96.67 155.98 16.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -70.66 -25.59 63.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -92.48 81.0 4.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.9 pm0 -48.78 -23.45 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.95 -46.32 68.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.452 ' CG2' ' HB2' ' A' ' 56' ' ' TRP . 89.5 t -62.35 128.7 24.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -114.77 149.15 37.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.275 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.509 ' CD2' HD22 ' A' ' 48' ' ' LEU . 1.0 OUTLIER -109.72 168.01 9.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.03 157.89 32.95 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 54.86 3.76 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.783 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.91 33.9 0.08 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -116.6 -172.4 2.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 0.784 . . . . 0.0 109.267 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' ILE . 15.7 mt-30 -138.6 146.76 42.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.7 t -127.17 98.26 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.7 mm -87.2 132.07 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.571 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 14.4 t -119.15 104.41 10.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 108.32 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 9.9 p90 -136.03 171.48 14.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.85 157.86 18.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.17 82.72 1.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -177.65 135.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -112.03 101.29 9.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 22.8 m -78.64 154.39 78.58 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 88.34 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.8 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.5 p -134.06 113.52 12.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.398 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.6 tttt 57.04 78.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.247 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.404 ' O ' ' CG2' ' A' ' 108' ' ' THR . 15.2 t -86.04 55.84 3.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.426 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.44 119.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 109.974 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 16.5 m95 56.53 96.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 107.981 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -70.24 137.93 86.81 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 109.249 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 56.47 4.28 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.412 1.743 . . . . 0.0 111.009 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -175.16 73.26 0.08 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.536 1.147 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -98.86 -53.54 3.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.751 . . . . 0.0 111.051 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 28.3 t -137.33 144.67 42.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.949 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -52.46 107.24 0.47 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.532 1.145 . . . . 0.0 111.043 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.26 33.71 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 52.2 p -147.42 155.26 41.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.04 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 41.2 p -80.67 125.26 29.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -152.68 120.61 6.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.781 . . . . 0.0 109.983 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -84.21 131.03 34.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.54 -135.41 8.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.447 1.092 . . . . 0.0 110.955 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 p 46.92 91.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 0.752 . . . . 0.0 110.023 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.8 t -79.64 129.44 34.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.67 -169.65 37.18 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -140.71 156.43 69.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.747 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.48 9.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.447 1.762 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.458 ' CD1' ' HA ' ' A' ' 99' ' ' TYR . 1.6 mp -69.06 -35.54 69.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -176.88 150.95 10.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.538 1.149 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -118.94 150.13 40.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -140.05 130.55 25.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.7 m -98.63 146.95 25.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.454 HD12 ' CD1' ' A' ' 48' ' ' LEU . 58.4 mt -90.46 122.6 42.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.476 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 9.2 mt -97.32 -39.2 9.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.2 153.33 45.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.439 HG22 ' CG2' ' A' ' 15' ' ' ILE . 51.6 p -136.21 135.75 39.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.452 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.553 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 12.4 p90 -156.39 -177.59 6.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -124.2 162.81 22.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.455 HG21 ' CG2' ' A' ' 30' ' ' VAL . 6.0 m -132.88 159.1 43.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.2 m -111.37 133.99 53.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 110.378 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -144.3 99.12 3.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.469 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . 63.17 48.58 78.53 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.433 1.083 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER 85.69 -50.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 0.761 . . . . 0.0 109.244 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 163.09 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.8 mtmm -132.11 102.79 5.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.531 ' CD1' ' N ' ' A' ' 28' ' ' ILE . 2.6 mp -94.94 123.17 58.4 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 130.17 13.08 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.553 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 52.9 t -113.66 157.64 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.453 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -137.68 115.7 11.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.9 115.5 23.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.2 p -128.1 144.74 51.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 108.295 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.476 ' HB2' ' CD1' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -107.18 119.74 40.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.434 ' CG2' HG22 ' A' ' 73' ' ' ILE . 96.2 t -56.87 123.86 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -103.84 -35.14 8.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.09 145.39 30.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.94 -145.81 45.51 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -147.38 175.97 10.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 0.764 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.2 mt -117.53 124.87 49.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -112.66 137.8 50.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.42 70.44 8.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.268 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.5 t-160 -179.55 -49.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.616 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.9 mmtm -50.18 178.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.583 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -96.57 158.79 15.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.244 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.583 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 21.2 m-85 -148.28 169.72 19.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 111.048 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.1 pttt -162.62 150.18 13.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.454 ' CD1' HD12 ' A' ' 15' ' ' ILE . 28.4 tp -104.33 119.43 38.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.536 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 1.8 mp -107.37 113.64 44.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.452 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 3.7 ttm180 -121.28 114.07 20.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 29.1 t30 77.99 1.14 2.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.07 -14.9 28.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.13 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -96.75 149.26 22.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.784 . . . . 0.0 110.321 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 t -91.01 131.32 38.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.403 ' N ' HD12 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -105.6 -41.74 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 109.263 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.568 ' CE3' HD21 ' A' ' 83' ' ' LEU . 71.4 t90 -130.01 135.23 48.05 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -137.75 115.13 11.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.3 -163.09 36.32 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 m -95.92 147.49 23.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 0.793 . . . . 0.0 110.005 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.51 HD11 ' CE2' ' A' ' 46' ' ' PHE . 22.2 mt -69.15 114.44 7.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.56 -13.72 23.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.412 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 m -167.14 153.65 8.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.024 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.1 tp -155.65 126.64 7.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -138.57 147.81 43.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.479 ' O ' ' CB ' ' A' ' 66' ' ' HIS . 64.0 t60 -85.32 52.84 2.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.579 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.479 ' CB ' ' O ' ' A' ' 65' ' ' HIS . 2.6 t-160 86.5 -47.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.612 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -166.98 54.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -163.56 125.31 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -75.02 79.58 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.5 tt -90.36 170.52 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 60.2 p -115.76 -35.58 4.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.7 t -132.12 140.21 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.346 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.434 HG22 ' CG2' ' A' ' 35' ' ' VAL . 20.3 mm -116.91 127.5 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -85.08 179.41 7.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 59.2 m -76.7 152.53 35.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.396 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 73.59 8.65 76.96 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.471 1.107 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.3 mmm -105.18 133.19 50.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.453 ' O ' ' ND1' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -92.95 124.44 36.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 26.3 p -137.1 160.34 39.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 108.319 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -121.15 126.18 6.47 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.469 ' CD2' HD13 ' A' ' 60' ' ' LEU . 4.4 pp -118.18 135.86 53.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 0.791 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.0 p -116.4 140.19 49.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.568 HD21 ' CE3' ' A' ' 56' ' ' TRP . 33.2 mt -93.04 147.65 22.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -64.35 -26.77 68.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 87' ' ' LYS . 0.5 OUTLIER -95.54 76.11 3.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -41.23 -28.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 85' ' ' GLU . 20.1 mttt -47.83 -47.83 31.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 61.2 t -65.44 125.42 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -115.89 136.61 52.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.453 ' CD2' ' HB2' ' A' ' 31' ' ' ALA . 1.1 m-85 -87.7 -172.47 3.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.062 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -172.84 155.56 3.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 55.82 4.1 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -175.56 33.85 0.09 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -122.49 -168.69 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -144.24 155.78 44.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 28.0 t -134.47 98.5 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.55 ' CD1' ' N ' ' A' ' 97' ' ' ILE . 1.2 mp -87.12 115.23 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 7.4 t -96.77 101.97 13.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 108.32 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.458 ' HA ' ' CD1' ' A' ' 10' ' ' ILE . 2.8 p90 -144.56 176.12 9.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -127.15 144.04 51.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -94.32 99.33 11.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -153.33 129.24 10.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -110.15 118.0 35.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.2 m -124.22 155.04 68.68 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 66.83 6.01 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.506 1.793 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.5 t -86.24 146.66 26.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.373 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.32 76.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.4 m -144.95 146.01 31.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.394 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 96.0 p -91.69 101.63 14.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.986 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 28.4 m95 -72.97 144.51 47.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 108.058 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -48.32 143.93 6.75 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.241 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 69.24 5.58 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.788 . . . . 0.0 111.042 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -156.08 97.25 0.16 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -56.01 130.76 45.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.9 m -107.42 165.91 11.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.044 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 163.18 -147.12 12.57 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 154.37 42.31 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 111.039 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.53 167.49 28.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.995 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.6 m -131.82 -58.63 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -64.91 120.94 13.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 0.777 . . . . 0.0 109.981 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -156.53 159.22 38.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.984 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.93 -73.56 0.38 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.23 86.47 5.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 109.986 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.75 150.25 21.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.984 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.71 -166.83 27.95 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.574 1.171 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 8' ' ' TYR . 8.6 p90 -103.66 154.67 37.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 134.29 17.73 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.3 mt -73.66 -43.58 54.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.47 142.02 5.28 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -101.77 140.51 35.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.758 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.25 133.22 43.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 33' ' ' CYS . 67.7 m -99.59 154.74 18.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.5 mt -96.66 127.4 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.484 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 17.6 mt -101.51 -37.4 8.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -145.5 153.69 41.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.423 HG22 ' N ' ' A' ' 91' ' ' LYS . 30.4 p -135.14 135.56 41.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.428 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.571 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 9.8 p90 -154.16 -177.31 6.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -123.16 162.64 22.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' A' ' 28' ' ' ILE . 6.2 m -131.53 156.83 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.3 m -108.56 132.43 53.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.358 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 28' ' ' ILE . 1.6 mt-10 -143.67 98.92 3.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . 62.57 51.37 56.57 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.2 OUTLIER 84.97 -52.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.33 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.46 161.24 0.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.99 99.01 4.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 23' ' ' GLU . 5.0 mp -89.83 128.48 50.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 139.28 24.03 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.473 1.775 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.571 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 38.8 t -125.14 145.33 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -122.76 120.38 33.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -90.55 114.94 27.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 14' ' ' SER . 1.9 p -127.2 146.97 50.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 108.305 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.484 ' HB2' ' CD1' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -108.23 120.94 43.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 25.0 t -58.54 131.29 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -113.96 -37.55 4.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -145.57 130.82 18.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.29 -145.01 19.49 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -150.19 166.85 28.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 110.301 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.452 ' CD2' ' SG ' ' A' ' 98' ' ' CYS . 53.1 mt -117.23 124.66 49.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.472 ' HB2' ' CG ' ' A' ' 44' ' ' LYS . 6.3 mt-10 -108.93 179.01 4.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.69 -31.92 9.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.04 47.65 1.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.56 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.472 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 21.1 mmtm -136.93 168.19 20.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.55 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 11.0 mptt -95.3 153.83 17.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.557 ' CD2' ' SG ' ' A' ' 98' ' ' CYS . 19.8 m-85 -146.28 173.99 11.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.66 153.38 17.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.452 HD22 ' CD2' ' A' ' 90' ' ' PHE . 40.8 tp -104.35 120.93 42.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.518 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 2.1 mp -111.07 116.53 52.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.506 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 30.6 ttm180 -122.78 110.97 16.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 8.6 t-20 82.36 -6.69 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.358 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.43 -15.12 10.76 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -96.42 148.14 23.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 110.335 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.4 t -89.55 136.15 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.47 -43.48 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.57 ' CE3' HD23 ' A' ' 83' ' ' LEU . 46.6 t90 -127.13 135.66 51.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 108.05 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.94 113.74 9.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 176.39 -142.98 6.21 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.102 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 p -120.58 155.06 34.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.74 . . . . 0.0 109.967 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.548 HD11 ' CE2' ' A' ' 46' ' ' PHE . 27.7 mt -77.88 136.21 38.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 13.4 p -77.47 -16.65 58.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.408 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.5 m -168.9 153.62 5.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.989 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 tp -152.85 116.01 4.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.085 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -129.55 157.07 43.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 4.3 t60 -88.04 62.42 6.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.61 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.406 ' CB ' ' O ' ' A' ' 65' ' ' HIS . 5.8 t-80 80.54 -53.75 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.644 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -159.04 62.85 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -173.12 138.68 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.69 86.31 3.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.466 ' CG2' HD11 ' A' ' 73' ' ' ILE . 0.6 OUTLIER -100.55 146.49 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 61.8 p -101.79 -26.72 13.37 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.468 1.105 . . . . 0.0 110.026 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.6 t -139.93 134.2 36.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.466 HD11 ' CG2' ' A' ' 70' ' ' ILE . 12.7 mm -114.55 128.07 71.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -83.42 175.55 9.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.359 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.9 m -73.3 142.19 47.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 110.363 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.78 -4.68 85.5 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.2 mmm -96.1 131.06 42.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -83.48 145.8 28.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 23.0 p -161.56 158.3 26.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 108.313 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -119.92 134.93 10.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.2 pp -126.1 148.1 49.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.9 p -129.11 141.3 51.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.984 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.57 HD23 ' CE3' ' A' ' 56' ' ' TRP . 39.1 mt -87.98 167.76 13.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -92.79 25.95 2.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -150.6 91.55 1.75 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.266 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -52.78 -21.53 4.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -55.23 -42.94 74.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.453 ' CG2' ' HB2' ' A' ' 56' ' ' TRP . 48.9 t -72.08 133.22 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -121.94 135.78 54.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.452 ' CD2' HD22 ' A' ' 48' ' ' LEU . 1.5 m-85 -90.92 -174.8 4.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.423 ' N ' HG22 ' A' ' 18' ' ' THR . 0.3 OUTLIER -172.12 158.74 4.27 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 95.27 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.504 1.792 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 146.67 -17.13 1.62 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -66.78 -179.27 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.751 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -132.3 158.28 42.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.4 t -134.58 99.22 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 9.8 mm -87.65 112.74 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.557 ' SG ' ' CD2' ' A' ' 46' ' ' PHE . 4.0 m -102.52 94.39 5.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 108.335 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -104.29 168.45 9.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -106.7 122.57 46.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.354 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.83 95.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -134.08 159.08 41.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.45 121.5 45.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.471 ' CG2' ' HD2' ' A' ' 105' ' ' PRO . 5.9 p -170.24 141.7 1.72 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 104' ' ' VAL . 18.2 Cg_endo -75.01 106.53 2.29 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.496 1.787 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.8 t -81.98 160.7 23.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.388 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.68 106.17 1.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 42.6 m -145.09 139.68 27.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.393 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 16.2 t -134.42 -57.59 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.023 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -61.91 131.21 49.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 108.012 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -102.56 131.37 22.48 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 146.03 32.03 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -49.63 149.9 5.0 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.146 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -86.69 148.94 25.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.9 t -179.04 137.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.034 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 159.13 175.0 29.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 119' ' ' SER . 18.2 Cg_endo -75.0 -47.32 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.474 1.776 . . . . 0.0 110.96 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 52.4 m 66.6 -70.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 117' ' ' PRO . 44.9 t 65.39 160.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.983 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -81.3 167.27 19.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 0.795 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.3 p -153.2 157.26 39.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.55 149.88 5.56 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.6 t -167.39 123.53 1.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 0.0 110.008 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.5 142.02 47.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.13 159.52 4.88 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.12 . . . . 0.0 110.971 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -84.17 153.45 62.9 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 0.747 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 127.13 10.42 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.544 1.812 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.1 mt -78.49 -46.7 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -168.73 139.37 5.62 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.12 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -105.57 124.83 50.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.749 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.05 131.62 54.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 m -96.62 142.14 29.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.041 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.461 HD11 ' CD1' ' A' ' 48' ' ' LEU . 52.9 mt -84.16 120.15 34.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.484 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 9.6 mt -92.4 -41.23 10.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.12 159.55 41.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.457 HG22 ' CG2' ' A' ' 15' ' ' ILE . 17.5 p -141.12 142.68 34.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.381 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.554 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 10.0 p90 -162.28 179.77 7.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 m -121.13 162.1 20.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.38 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.454 HG23 ' CG2' ' A' ' 30' ' ' VAL . 5.8 m -131.11 159.04 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.3 m -112.92 132.51 55.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 110.437 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -139.29 99.34 3.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . 58.78 47.37 90.72 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.597 1.186 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER 89.35 -43.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.278 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.88 160.06 2.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -132.36 101.22 5.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.556 ' CD1' ' N ' ' A' ' 28' ' ' ILE . 2.2 mp -96.54 124.66 50.04 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 128.76 11.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 111.026 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.554 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 47.9 t -113.49 157.01 14.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.546 ' HB1' ' CD2' ' A' ' 90' ' ' PHE . . . -139.47 119.84 13.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.33 118.32 30.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 p -131.04 139.95 50.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 108.304 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.484 ' HB2' ' CD1' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -104.3 122.2 44.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.283 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.443 ' CG2' HG23 ' A' ' 73' ' ' ILE . 57.6 t -51.7 126.87 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -99.39 -38.23 8.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.23 148.96 33.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.76 -135.35 49.34 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.449 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 7.8 pt20 -155.81 175.59 13.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.751 . . . . 0.0 110.355 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.2 mt -117.18 124.7 49.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -104.87 118.34 36.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 110.244 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.52 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 0.8 OUTLIER -59.55 153.48 19.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.52 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 12.3 t60 88.75 -42.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.609 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -52.12 -176.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.358 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.493 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 4.5 mttt -99.5 151.03 21.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.087 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.493 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 15.0 m-85 -142.34 174.72 10.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.47 ' CE ' ' HB ' ' A' ' 97' ' ' ILE . 15.4 pttt -163.56 148.31 10.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.461 ' CD1' HD11 ' A' ' 15' ' ' ILE . 19.5 tp -104.34 119.69 39.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.546 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 1.6 mp -108.09 118.32 55.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.431 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 19.6 ttp85 -123.36 113.18 18.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.431 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 4.1 t-20 77.39 1.35 3.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.06 -14.59 26.14 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.533 1.146 . . . . 0.0 110.97 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -96.63 150.27 20.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 0.792 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 t -91.16 132.78 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -106.5 -42.75 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.565 ' CE3' HD21 ' A' ' 83' ' ' LEU . 48.3 t90 -130.4 138.44 50.35 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.83 125.13 21.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.487 ' O ' ' CH2' ' A' ' 56' ' ' TRP . . . 154.06 -167.16 32.22 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 p -94.01 157.38 16.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.466 HD12 ' CE2' ' A' ' 46' ' ' PHE . 15.3 mt -79.72 163.09 24.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 65.5 p -101.66 -19.3 15.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.436 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.5 m -164.15 160.76 21.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.995 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.471 ' HB3' ' CG ' ' A' ' 42' ' ' ARG . 11.5 tp -158.62 124.7 4.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.354 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -133.42 133.94 42.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.18 -42.72 62.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.612 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.17 -62.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.602 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.87 53.86 1.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -179.64 120.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -67.18 78.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 15.5 tt -87.55 166.18 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 92.8 p -115.95 -34.77 4.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.019 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.5 t -108.75 145.62 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.449 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 48.0 mm -129.3 109.89 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -69.47 -176.25 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.2 m -79.01 145.18 34.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.365 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.11 -0.13 74.57 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.7 mmm -93.75 128.75 40.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 0.762 . . . . 0.0 111.041 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -84.17 146.24 27.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 24.5 p -160.07 158.49 30.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 108.258 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -127.59 135.57 8.8 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 pp -126.04 162.68 24.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.785 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 12.6 m -143.74 138.82 29.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.565 HD21 ' CE3' ' A' ' 56' ' ' TRP . 10.0 mt -92.19 147.83 22.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -18.57 64.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 87' ' ' LYS . 3.6 tp10 -100.37 79.6 2.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -43.57 -27.52 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 85' ' ' GLU . 5.0 mttp -48.99 -47.58 44.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.465 ' CG2' ' HB2' ' A' ' 56' ' ' TRP . 61.1 t -67.93 124.51 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -115.87 137.42 52.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.546 ' CD2' ' HB1' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -88.72 179.63 6.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 111.017 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 90' ' ' PHE . 6.0 mttt -165.28 157.05 13.04 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 55.34 3.91 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -177.65 34.32 0.08 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.447 1.092 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.435 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 0.5 OUTLIER -118.95 -168.65 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 109.315 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -144.55 152.84 41.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 22.2 t -130.05 103.55 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.47 ' HB ' ' CE ' ' A' ' 47' ' ' LYS . 18.5 mm -90.75 124.71 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 17.4 t -114.76 101.18 8.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 108.301 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -123.92 165.07 18.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 111.022 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -121.38 125.56 47.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.42 97.79 3.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -167.79 137.97 2.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 8.7 pttp -132.69 118.39 19.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.247 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.417 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 0.6 OUTLIER -149.37 132.2 8.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 104' ' ' VAL . 18.4 Cg_endo -75.0 86.46 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.472 1.775 . . . . 0.0 111.015 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.2 t -42.2 145.88 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.37 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.61 81.98 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.403 ' O ' ' CG2' ' A' ' 108' ' ' THR . 4.3 m 59.13 54.94 4.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.377 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.3 m -123.82 143.28 50.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 78.48 122.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.509 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 0.2 OUTLIER 163.38 -52.03 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 111' ' ' ASP . 18.4 Cg_endo -74.99 107.99 2.61 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.476 1.777 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 142.18 95.44 0.23 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.442 1.088 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.81 -55.41 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.5 t -54.01 105.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.02 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -68.68 -152.52 0.46 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 176.42 9.94 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.442 1.759 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.4 m 50.08 95.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.017 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.9 t -109.55 150.61 27.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.011 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.517 1.135 . . . . 0.0 111.022 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.38 82.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 0.766 . . . . 0.0 109.989 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.1 t -174.26 134.05 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.034 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.44 -178.8 48.71 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -69.27 125.76 27.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 110.028 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.87 110.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.0 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.22 120.81 1.96 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.509 1.131 . . . . 0.0 111.039 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -71.08 150.9 94.83 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.767 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.465 ' HB3' ' CG2' ' A' ' 97' ' ' ILE . 18.3 Cg_endo -74.95 131.54 14.47 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.508 1.793 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.1 mt -83.03 -42.85 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.33 145.38 11.09 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.466 1.104 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -113.27 121.83 45.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 110.309 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.96 131.01 57.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.72 140.96 34.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.004 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.466 HD13 ' CD1' ' A' ' 48' ' ' LEU . 60.6 mt -85.31 117.2 29.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.483 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 13.2 mt -90.51 -38.85 12.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.33 160.23 42.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.454 HG23 ' CG2' ' A' ' 15' ' ' ILE . 13.8 p -141.36 138.68 33.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 30' ' ' VAL . 8.3 p90 -153.79 -177.26 6.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.133 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.9 m -118.42 163.44 16.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.37 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' A' ' 28' ' ' ILE . 6.7 m -135.7 158.52 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.9 m -116.03 143.14 45.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.406 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -149.81 99.45 2.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.92 -44.2 3.32 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.2 mttt 175.31 -43.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.99 175.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.12 97.72 4.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.467 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 4.4 mp -89.74 124.02 64.96 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 146.94 33.46 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.512 1.796 . . . . 0.0 111.041 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.446 ' CG2' HG23 ' A' ' 21' ' ' VAL . 53.8 t -137.43 154.74 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.468 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -134.2 120.27 19.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.41 116.83 24.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 p -127.68 145.25 50.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 108.313 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.483 ' HB2' ' CD1' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -108.66 122.68 47.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.433 ' CG1' ' O ' ' A' ' 38' ' ' GLY . 85.4 t -62.12 112.12 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -88.8 -45.17 9.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -139.47 136.39 34.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.433 ' O ' ' CG1' ' A' ' 35' ' ' VAL . . . 76.47 -164.04 53.16 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.448 1.093 . . . . 0.0 111.026 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -132.76 172.27 12.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 0.793 . . . . 0.0 110.262 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.0 mt -117.05 124.5 49.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -105.84 122.97 47.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -71.56 83.2 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 172.18 -47.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.582 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -56.47 -173.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.581 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 2.7 mmtp -99.23 162.29 13.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.581 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 14.6 m-85 -146.8 169.02 19.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.441 ' HE2' ' CE1' ' A' ' 99' ' ' TYR . 1.4 pttt -157.04 145.73 19.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.562 HD21 ' CD2' ' A' ' 90' ' ' PHE . 41.5 tp -104.23 112.45 25.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.427 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 2.7 mp -101.51 119.41 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 2.1 ttm180 -126.1 112.73 16.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER 80.56 -1.84 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.13 -12.9 24.08 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -100.27 148.05 25.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 0.78 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.7 t -87.04 135.05 26.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.495 ' CD1' ' O ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -110.54 -42.15 4.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.554 ' CE3' HD21 ' A' ' 83' ' ' LEU . 63.0 t90 -129.14 134.99 48.28 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.1 ttpp -137.07 117.16 13.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 163.85 -164.47 36.44 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -91.17 147.53 22.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.99 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.51 ' HG ' ' CG ' ' A' ' 46' ' ' PHE . 32.6 mt -64.68 123.14 18.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.3 m -65.13 -20.78 66.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.425 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.3 m -167.16 169.94 12.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.8 tp -163.89 125.12 2.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -140.19 141.31 35.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.499 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 10.3 t60 -90.04 59.22 4.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.627 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.445 ' CB ' ' O ' ' A' ' 65' ' ' HIS . 4.0 t-160 83.06 -55.83 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.558 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.4 60.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -169.62 124.48 0.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -76.44 81.73 3.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.7 tt -90.87 170.4 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.1 m -116.07 -34.87 4.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.989 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.4 t -128.37 140.57 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.427 HG22 ' CG2' ' A' ' 35' ' ' VAL . 23.9 mm -115.86 120.23 64.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -80.48 176.31 9.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.5 m -74.35 145.67 43.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.429 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.68 -12.33 56.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 97.9 mtp -88.26 129.32 35.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.52 130.15 37.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 29.8 p -139.27 164.72 29.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.332 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -125.49 125.55 5.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.12 . . . . 0.0 110.995 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.469 ' CD1' HD23 ' A' ' 60' ' ' LEU . 4.5 pp -114.37 142.33 46.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 18.1 p -125.7 142.0 51.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.979 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.554 HD21 ' CE3' ' A' ' 56' ' ' TRP . 19.3 mt -98.72 149.9 22.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -65.02 -19.61 66.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -100.64 87.1 3.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.68 -23.1 4.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.0 mttp -53.12 -47.36 68.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 0.0 109.284 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.42 ' CG2' ' HB2' ' A' ' 56' ' ' TRP . 57.9 t -65.36 123.09 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -110.69 144.35 39.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.278 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.562 ' CD2' HD21 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -104.7 143.09 33.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.948 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.416 ' HG3' ' NH2' ' A' ' 50' ' ' ARG . 3.1 mmtm -126.16 159.5 62.01 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 89.31 1.17 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.433 1.754 . . . . 0.0 110.977 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 155.0 -22.44 0.59 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.16 -170.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -144.66 149.47 35.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 27.6 t -129.33 102.57 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.465 ' CG2' ' HB3' ' A' ' 9' ' ' PRO . 20.7 mm -99.8 119.56 48.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 11.5 t -101.27 99.75 10.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 108.287 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.441 ' CE1' ' HE2' ' A' ' 47' ' ' LYS . 19.1 p90 -123.28 167.24 14.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -104.42 147.78 27.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.22 139.08 58.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.33 162.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.1 ptpp? -107.49 163.36 13.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.476 ' CG2' ' HD2' ' A' ' 105' ' ' PRO . 2.6 p -131.82 142.89 46.86 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 104' ' ' VAL . 18.3 Cg_endo -75.07 130.24 13.03 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.505 1.792 . . . . 0.0 111.021 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.416 HG23 ' N ' ' A' ' 107' ' ' LYS . 4.6 t -113.99 -31.86 6.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.391 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.416 ' N ' HG23 ' A' ' 106' ' ' THR . 0.0 OUTLIER 52.74 85.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 15.2 t -141.36 149.07 40.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.408 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 75.7 m -166.71 155.86 10.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.034 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -126.92 112.97 15.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 107.963 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -80.05 140.87 53.88 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 177.7 8.24 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.524 1.802 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -160.09 102.84 0.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.444 1.09 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -155.72 132.88 10.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 67.5 m -137.5 157.55 46.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.021 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -126.4 90.96 0.37 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 165.44 31.32 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.27 166.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.02 128.83 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.108 . . . . 0.0 111.015 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.19 -58.29 3.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 0.768 . . . . 0.0 109.947 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.42 160.26 40.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.037 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.97 -128.8 3.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.9 t -113.54 155.5 25.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 110.027 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.0 p -110.98 123.1 49.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.029 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.06 148.59 5.33 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.53 1.143 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 39.7 p90 -83.98 155.32 64.36 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 110.998 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 136.55 20.55 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.48 1.779 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.435 ' CD1' ' HE3' ' A' ' 44' ' ' LYS . 17.8 mt -81.92 -34.88 12.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 175.93 146.09 5.79 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -115.53 136.34 53.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.37 147.95 45.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.55 134.0 55.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.082 . . . . 0.0 109.967 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.478 ' CG2' HG23 ' A' ' 18' ' ' THR . 57.1 mt -83.34 120.6 34.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 mt -95.14 -38.82 10.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -143.2 158.97 43.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.478 HG23 ' CG2' ' A' ' 15' ' ' ILE . 19.8 p -142.48 137.85 30.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.388 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.543 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 8.7 p90 -152.24 -179.18 7.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.8 m -119.82 164.27 16.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 110.397 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.415 HG23 ' CG2' ' A' ' 30' ' ' VAL . 6.6 m -136.65 157.83 36.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.1 m -121.86 127.15 50.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.397 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.527 ' CG ' ' CD1' ' A' ' 28' ' ' ILE . 0.3 OUTLIER -152.01 99.4 2.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.31 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.04 55.26 3.58 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt 52.15 22.64 1.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 109.264 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -110.89 161.76 15.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -131.67 92.44 3.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.527 ' CD1' ' CG ' ' A' ' 23' ' ' GLU . 1.9 mp -96.94 120.16 62.1 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 123.45 7.9 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.492 1.785 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.543 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 53.7 t -105.85 153.79 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.503 ' HB2' ' CD1' ' A' ' 90' ' ' PHE . . . -133.53 121.91 22.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.8 123.94 38.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.4 p -139.81 158.45 44.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 108.318 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.05 116.94 29.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.45 ' CG2' HG21 ' A' ' 73' ' ' ILE . 92.5 t -51.74 113.64 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -79.03 -48.17 14.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.352 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.92 149.05 30.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.0 -137.51 18.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -157.2 174.8 14.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 0.739 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.8 mt -117.34 124.59 49.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -102.62 121.48 42.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.457 ' HG2' ' CD2' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -74.66 73.98 2.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.454 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 4.8 p-80 165.64 -34.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.606 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.435 ' HE3' ' CD1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -61.63 178.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.557 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -94.03 150.81 20.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.557 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 16.2 m-85 -146.47 178.19 8.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 pttt -163.56 155.21 17.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.1 tp -106.9 122.34 46.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.512 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 2.3 mp -108.47 114.52 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.47 ' HB2' ' CD1' ' A' ' 55' ' ' ILE . 7.1 ttp-105 -126.45 119.12 26.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.462 ' N ' ' OD1' ' A' ' 51' ' ' ASN . 0.8 OUTLIER 75.36 3.24 3.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.53 -12.01 42.91 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -103.95 147.64 27.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 110.312 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 t -87.48 133.91 29.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -105.21 -43.56 7.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.533 ' CZ3' HD21 ' A' ' 83' ' ' LEU . 40.3 t90 -124.63 138.43 54.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 107.993 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.02 113.36 9.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.508 ' C ' ' CH2' ' A' ' 56' ' ' TRP . . . 168.79 -158.06 30.49 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.2 p -105.99 152.47 23.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.767 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.9 mt -73.82 158.17 35.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 64.8 p -106.33 -26.74 11.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.415 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -148.68 162.78 39.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.011 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.457 ' CD2' ' HG2' ' A' ' 42' ' ' ARG . 2.5 tp -170.61 123.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -130.33 150.15 51.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 2.2 t60 -95.62 55.51 1.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.582 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.406 ' CB ' ' O ' ' A' ' 65' ' ' HIS . 0.2 OUTLIER 80.44 -63.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.605 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -147.27 63.68 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.0 t0 177.64 117.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -71.76 82.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 12.5 tt -92.26 168.6 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.228 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.22 -34.83 4.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.6 t -119.98 142.43 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.45 HG21 ' CG2' ' A' ' 35' ' ' VAL . 7.5 mm -122.75 125.97 73.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -79.21 -171.36 2.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.2 m -85.53 146.32 26.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.401 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 73.65 3.62 63.54 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.515 1.135 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.5 mmm -94.61 132.55 39.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 0.74 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.412 ' O ' ' ND1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -84.74 142.19 30.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 27.6 p -162.32 162.44 27.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 108.322 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -122.52 139.0 12.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.6 pp -130.55 152.06 50.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 0.748 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.5 p -135.82 153.26 51.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.001 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.533 HD21 ' CZ3' ' A' ' 56' ' ' TRP . 4.6 mt -107.37 146.17 31.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -54.93 -20.28 8.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -94.68 133.6 38.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -91.5 -32.43 15.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.65 -42.7 62.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 14.6 p -70.09 122.98 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -120.21 138.9 53.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.339 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.503 ' CD1' ' HB2' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -93.86 145.36 24.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.97 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.93 161.48 61.22 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 54.89 3.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -174.65 33.04 0.1 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.452 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 0.1 OUTLIER -117.18 -165.97 1.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.773 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' ILE . 33.8 mt-30 -153.42 152.5 31.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.5 t -128.73 97.92 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 8.4 mm -88.78 109.74 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.427 ' SG ' ' CD2' ' A' ' 46' ' ' PHE . 3.9 m -97.85 94.01 6.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 108.319 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 20.0 p90 -99.34 170.63 8.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -104.88 143.99 32.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.34 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -109.22 88.21 2.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -176.8 -61.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 47.26 87.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.258 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.0 m -101.69 154.01 37.56 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 95.0 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.525 1.803 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 68.1 p -144.7 117.81 8.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -82.69 123.05 28.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 21.0 m -128.34 136.11 50.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.406 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.7 m -42.28 122.62 2.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 25.0 m95 -66.44 153.57 42.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 107.981 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 62.95 149.51 0.1 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.264 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 131.9 14.81 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -80.98 -170.31 42.95 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.549 1.156 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -82.47 139.62 33.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 54.9 p -165.84 134.5 3.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 75.66 170.76 29.3 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 177.9 7.99 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.508 1.794 . . . . 0.0 111.003 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 60.6 p -112.25 161.43 16.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.043 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.1 t -150.44 150.6 31.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.983 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.52 1.137 . . . . 0.0 110.97 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.61 94.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.744 . . . . 0.0 109.96 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.08 118.57 3.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.977 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.13 166.75 10.85 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.536 1.147 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 p -98.51 155.28 17.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.777 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 p -97.38 169.45 9.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.023 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.23 142.04 32.25 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -106.22 156.69 36.45 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 127.16 10.43 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.513 1.796 . . . . 0.0 110.978 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.1 mt -73.68 -45.37 50.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -167.98 146.77 10.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -100.8 143.55 30.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.93 130.51 35.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.59 140.57 34.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.472 ' CG2' HG21 ' A' ' 18' ' ' THR . 75.0 mt -88.23 118.56 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.3 mt -91.51 -39.02 12.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.1 162.15 38.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.472 HG21 ' CG2' ' A' ' 15' ' ' ILE . 8.7 p -143.82 143.55 31.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.365 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -161.61 -177.22 5.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.4 m -115.43 166.37 11.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 110.446 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.462 HG21 ' CG2' ' A' ' 30' ' ' VAL . 6.7 m -137.55 159.89 34.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.1 m -111.11 135.9 50.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.416 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -144.21 99.14 3.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.95 -47.85 3.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -179.83 -38.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.46 175.04 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.37 101.25 5.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.423 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 3.8 mp -90.42 123.51 65.27 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 129.26 12.17 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.462 ' CG2' HG21 ' A' ' 21' ' ' VAL . 77.4 t -116.81 157.87 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.513 ' HB3' ' CG ' ' A' ' 90' ' ' PHE . . . -133.76 119.54 19.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.94 121.3 31.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.246 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.3 p -132.6 151.32 51.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 108.309 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -107.85 118.56 37.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.429 ' CG2' HG21 ' A' ' 73' ' ' ILE . 51.9 t -55.39 118.88 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.454 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 5.6 mm-40 -94.91 -39.36 10.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.454 ' CG ' ' O ' ' A' ' 36' ' ' GLN . 2.1 mttm -155.49 134.56 12.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.47 -151.61 23.51 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.434 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 9.8 pt20 -143.55 167.19 22.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.2 mt -117.98 127.05 53.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -96.07 177.82 5.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.78 -22.61 10.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -114.76 43.78 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.616 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -130.18 173.42 10.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.524 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.6 OUTLIER -90.18 146.88 23.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 98' ' ' CYS . 20.0 m-85 -145.01 173.93 11.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.422 ' HD2' ' CD1' ' A' ' 49' ' ' ILE . 1.2 pttm -163.48 151.99 13.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.402 HD22 ' NH1' ' A' ' 50' ' ' ARG . 20.2 tp -104.21 120.32 40.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.541 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 2.0 mp -110.52 110.26 31.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.35 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.435 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 9.7 ttp-105 -121.54 115.44 22.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 1.1 t-20 77.16 7.25 3.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.06 -14.16 55.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.11 . . . . 0.0 111.04 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -98.69 150.41 21.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 t -92.95 124.57 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.43 HD11 ' NH1' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -95.68 -34.94 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.567 ' CE3' HD23 ' A' ' 83' ' ' LEU . 35.1 t90 -136.66 140.43 42.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 107.984 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -137.58 137.63 38.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 147.47 -135.51 5.65 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.42 1.075 . . . . 0.0 111.035 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 p -130.5 152.2 50.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.989 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.562 HD13 ' CE2' ' A' ' 46' ' ' PHE . 14.9 mt -70.5 164.46 24.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.0 p -108.07 -17.33 14.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.5 m -163.01 161.66 25.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.3 tp -162.23 115.13 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -126.92 160.78 30.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.8 ' CD2' ' CD2' ' A' ' 66' ' ' HIS . 2.8 t60 -108.39 -61.89 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.584 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.8 ' CD2' ' CD2' ' A' ' 65' ' ' HIS . 0.4 OUTLIER -176.93 115.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.601 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 42.45 45.87 3.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.79 116.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.58 81.37 1.99 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.8 tt -90.56 164.26 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 89.4 p -116.01 -35.56 4.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.7 t -105.28 150.01 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.355 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.434 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 25.0 mm -134.7 122.33 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -78.82 178.25 8.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.9 m -78.69 137.71 37.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.402 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.85 1.89 79.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.451 1.094 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.3 mmm -98.54 138.53 35.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.73 133.95 36.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 24.1 p -150.47 159.07 44.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 108.273 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -124.2 127.99 6.66 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.419 ' CD1' HD22 ' A' ' 60' ' ' LEU . 4.6 pp -114.85 166.66 11.52 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 0.799 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 97.4 p -146.47 156.48 43.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.022 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.567 HD23 ' CE3' ' A' ' 56' ' ' TRP . 12.2 mt -108.09 157.13 18.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -71.22 -17.78 62.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.44 ' C ' ' N ' ' A' ' 87' ' ' LYS . 4.8 tp10 -104.37 73.59 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -39.7 -29.24 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.44 ' N ' ' C ' ' A' ' 85' ' ' GLU . 8.4 mttm -46.31 -46.62 18.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 58.3 t -67.97 119.91 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -107.04 138.73 42.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.341 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.513 ' CG ' ' HB3' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -93.45 147.44 22.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.04 160.12 68.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 104.72 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.524 1.802 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.57 39.72 0.32 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.46 -166.61 1.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 0.737 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -143.52 146.63 33.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 16.1 t -130.61 99.46 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 46.6 mm -90.33 126.99 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.566 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 20.4 t -111.0 100.72 9.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 108.285 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 45' ' ' LYS . 35.3 p90 -112.86 173.86 6.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.07 125.93 30.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.42 -56.77 4.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -67.43 108.0 2.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -91.96 150.62 20.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.1 p -131.81 133.35 24.03 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 123.83 8.17 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.777 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.7 t -53.24 -33.7 54.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 26.6 tttt 55.58 80.3 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 13.3 t -70.47 155.1 41.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.409 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 90.8 p -147.12 147.09 30.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 2.6 t-105 -88.27 120.45 29.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 108.007 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -164.09 140.47 5.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 116.82 4.7 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.463 1.77 . . . . 0.0 111.007 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -97.87 139.64 14.58 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -85.64 165.13 17.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.76 166.35 24.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 124.41 -178.01 16.6 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 100.21 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.545 1.813 . . . . 0.0 110.979 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.9 166.28 16.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.69 84.28 7.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.79 111.66 23.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.777 . . . . 0.0 110.007 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.4 m -67.21 154.26 41.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.049 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.77 65.11 0.16 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 m -117.04 109.0 16.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 0.748 . . . . 0.0 110.008 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 t -114.84 136.12 53.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.022 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.95 -129.55 3.98 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.482 1.113 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -162.91 157.11 17.81 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.541 0.789 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 141.21 26.44 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.455 1.766 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.4 mt -79.81 -40.65 21.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.15 145.91 10.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -114.54 164.56 13.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 110.283 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.8 150.64 30.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.02 134.77 55.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.994 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.441 ' CG2' HG23 ' A' ' 18' ' ' THR . 61.0 mt -79.93 120.17 30.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.7 mt -93.64 -38.27 11.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -143.19 160.48 40.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.441 HG23 ' CG2' ' A' ' 15' ' ' ILE . 34.6 p -140.82 134.79 30.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 0.0 110.406 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' VAL . 6.9 p90 -155.92 -177.83 6.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.9 m -120.37 163.32 18.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.44 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.439 HG22 ' CG2' ' A' ' 30' ' ' VAL . 3.8 m -132.5 160.51 42.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.4 m -115.64 138.46 51.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.414 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -141.85 99.49 3.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.49 -49.03 4.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.047 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.07 -40.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 0.775 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.39 172.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.48 98.3 4.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.437 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 4.3 mp -90.0 125.76 59.52 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 137.99 22.42 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.539 1.81 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.439 ' CG2' HG22 ' A' ' 21' ' ' VAL . 52.0 t -125.9 151.03 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.81 121.53 28.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.74 123.13 35.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 p -133.09 150.24 52.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 108.284 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.46 116.83 31.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.45 ' CG2' HG23 ' A' ' 73' ' ' ILE . 45.2 t -52.53 125.8 7.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -105.91 -33.63 7.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 110.285 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -147.69 136.63 22.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.17 -157.91 53.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -133.86 176.75 8.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.3 mt -117.14 124.59 49.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 43' ' ' HIS . 5.5 mt-10 -105.95 117.77 34.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.445 ' CG ' ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -67.28 70.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.335 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.414 ' N ' ' O ' ' A' ' 41' ' ' GLU . 1.7 t-80 -179.11 -44.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.596 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 mmtm -56.9 -171.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.595 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 1.4 mptp? -97.96 165.12 12.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 30.2 m-85 -151.39 160.35 43.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.464 ' HE2' ' CE1' ' A' ' 99' ' ' TYR . 5.3 pttt -150.36 139.05 20.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.419 ' O ' ' CD1' ' A' ' 55' ' ' ILE . 30.4 tp -103.81 101.76 11.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.438 HD12 ' N ' ' A' ' 49' ' ' ILE . 1.6 mp -89.18 117.91 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.577 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 6.6 ttm180 -119.11 110.68 17.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.577 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 11.2 t-20 88.21 -36.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 162.54 -26.66 0.24 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -105.97 150.44 25.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 110.247 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.422 ' HA ' ' HA ' ' A' ' 49' ' ' ILE . 1.3 p -83.7 147.76 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.425 HD11 ' N ' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -113.03 -32.38 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.511 ' CE2' ' HB3' ' A' ' 83' ' ' LEU . 78.6 t90 -130.36 133.55 46.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 108.015 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.52 128.28 31.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 46' ' ' PHE . . . 151.24 -160.54 28.73 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.499 1.125 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.59 150.68 21.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 0.739 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.562 HD11 ' CZ ' ' A' ' 46' ' ' PHE . 5.9 mt -72.19 159.46 34.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 69.4 p -102.24 -13.19 17.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.431 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.4 m -159.83 167.54 27.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.445 ' HB3' ' CG ' ' A' ' 42' ' ' ARG . 14.3 tp -176.23 121.22 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -139.53 155.55 47.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 15.5 t60 -106.84 38.78 2.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.603 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 67' ' ' LYS . 9.0 t-160 73.87 118.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.566 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' HIS . 6.3 tmtt? 39.18 56.44 2.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 67' ' ' LYS . 0.1 OUTLIER 177.32 119.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.15 82.59 8.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.429 ' CG2' HD11 ' A' ' 73' ' ' ILE . 5.1 tt -91.8 170.68 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.57 -43.47 3.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.984 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.3 t -109.47 143.4 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.45 HG23 ' CG2' ' A' ' 35' ' ' VAL . 28.4 mm -120.81 116.21 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -76.61 -176.33 3.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.1 m -77.58 152.9 33.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.41 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.83 10.13 57.83 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 65.1 mtp -104.43 123.58 47.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 0.747 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.52 132.27 34.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 13.6 p -147.22 156.0 42.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 108.322 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -119.71 130.26 8.38 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.457 HD12 ' CD2' ' A' ' 60' ' ' LEU . 3.6 pp -117.56 176.25 5.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.791 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.2 p -156.09 139.39 15.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.99 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.511 ' HB3' ' CE2' ' A' ' 56' ' ' TRP . 1.1 mt -93.81 142.9 26.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -55.95 -26.07 46.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -93.95 91.5 6.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.337 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.68 -19.7 28.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -57.78 -43.03 85.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 23.7 t -67.29 133.71 31.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -122.94 141.18 52.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.59 171.14 8.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -155.24 159.55 31.64 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 54.7 3.73 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.489 1.784 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -175.71 33.23 0.09 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.409 ' CB ' HD11 ' A' ' 48' ' ' LEU . 2.4 m-20 -117.24 -171.66 2.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 0.8 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -139.84 154.56 47.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 41.5 t -137.22 97.75 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.57 ' CD1' ' N ' ' A' ' 97' ' ' ILE . 1.2 mp -90.42 122.91 42.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 11.7 t -106.09 96.8 6.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 108.314 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.464 ' CE1' ' HE2' ' A' ' 47' ' ' LYS . 7.6 p90 -138.71 175.92 9.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 111.053 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -121.48 128.63 52.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 110.279 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.13 120.05 37.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.251 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.87 132.74 55.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -86.33 157.28 19.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.465 ' CG2' ' HD2' ' A' ' 105' ' ' PRO . 0.5 OUTLIER 59.99 163.12 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.465 ' HD2' ' CG2' ' A' ' 104' ' ' VAL . 18.5 Cg_endo -75.02 159.18 41.59 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.469 1.773 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.0 t -129.32 146.41 51.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.138 . . . . 0.0 110.354 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.29 111.67 17.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 66.0 p -131.05 117.47 19.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.433 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 53.0 p -79.32 -58.3 3.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.996 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 45.41 80.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -123.67 123.63 26.3 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.165 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 69.56 5.55 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.465 1.771 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -124.24 131.61 7.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -83.18 149.68 26.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 0.783 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 52.5 p -134.95 -58.9 0.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 89.5 169.01 43.82 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.426 1.079 . . . . 0.0 110.957 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 145.32 31.22 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.516 1.798 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.18 -58.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.007 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 43.4 m -111.51 -58.51 2.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.0 m -56.34 148.4 18.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.985 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -140.9 -62.43 0.48 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.975 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.89 125.98 1.11 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.52 1.137 . . . . 0.0 110.963 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.0 p -168.83 102.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.756 . . . . 0.0 109.975 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.3 p -117.4 19.32 14.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.013 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.38 128.46 4.17 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -51.22 154.03 3.07 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.46 0.741 . . . . 0.0 110.962 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 125.8 9.54 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.545 1.813 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.2 mt -78.33 -44.01 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -165.45 134.56 3.35 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -100.58 125.46 46.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 0.788 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.91 143.0 42.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.95 133.63 55.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.7 mt -79.95 126.92 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 mt -103.84 -34.07 8.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -145.34 155.03 42.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.422 HG23 ' N ' ' A' ' 91' ' ' LYS . 28.7 p -140.38 137.34 33.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.374 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 10.1 p90 -152.98 -178.57 7.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -119.67 163.08 17.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.432 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.421 HG22 ' CG2' ' A' ' 30' ' ' VAL . 3.6 m -138.39 160.88 31.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.7 m -115.12 126.62 54.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.416 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -148.03 98.78 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.309 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.09 56.44 4.03 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.0 mttt 51.07 28.28 3.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 0.775 . . . . 0.0 109.273 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 mtmm -119.11 170.19 9.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.37 92.61 3.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.4 mp -94.51 119.68 66.02 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 122.94 7.53 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.458 1.767 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.568 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 78.1 t -105.38 157.45 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.7 119.1 15.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.23 119.35 33.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.2 p -131.12 152.9 49.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 108.304 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.77 117.25 33.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.5 t -51.44 120.71 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -94.37 -34.96 12.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 110.332 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -148.36 143.12 26.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.14 -137.9 27.19 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.46 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 6.9 pt20 -154.45 174.22 15.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.3 mt -116.89 124.62 49.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -110.82 129.65 55.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.442 ' CG ' ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -78.02 82.59 4.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 177.04 -56.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.579 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -52.71 -176.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.55 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 5.2 mttt -98.19 164.61 12.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 98' ' ' CYS . 28.5 m-85 -148.58 173.65 12.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.4 pttm -160.88 147.03 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.518 ' O ' ' CD1' ' A' ' 55' ' ' ILE . 20.7 tp -103.79 107.24 18.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.1 mp -92.0 121.18 42.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.557 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 2.6 ttm180 -131.62 111.24 11.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.097 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.557 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 4.5 t30 87.03 -12.34 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 130.05 -22.88 4.74 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -106.43 147.17 29.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 0.716 . . . . 0.0 110.343 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 48' ' ' LEU . 0.6 OUTLIER -79.29 147.61 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.518 ' CD1' ' O ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -114.72 -15.51 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.57 ' CE3' HD22 ' A' ' 83' ' ' LEU . 53.1 t90 -146.89 138.94 24.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 107.994 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.1 131.81 37.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.488 ' O ' ' CH2' ' A' ' 56' ' ' TRP . . . 141.37 -164.79 26.53 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.472 1.107 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.35 151.58 21.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 110.012 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 81' ' ' LEU . 0.8 OUTLIER -67.84 167.69 13.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.467 ' CG2' ' HB3' ' A' ' 84' ' ' ASP . 24.0 p -104.53 -19.85 13.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.354 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.8 m -161.64 169.45 21.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.442 ' HB3' ' CG ' ' A' ' 42' ' ' ARG . 10.2 tp -169.4 122.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -132.95 149.23 52.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.541 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 33.8 t60 -112.21 52.23 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.593 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.46 ' N ' ' CD2' ' A' ' 66' ' ' HIS . 2.9 m170 64.45 101.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.576 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.15 67.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 173.79 101.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -71.68 82.75 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.432 ' CG2' ' CD1' ' A' ' 73' ' ' ILE . 9.5 tt -90.67 169.27 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 m -118.1 -39.92 3.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.987 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.8 t -116.79 135.1 58.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.46 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 19.8 mm -113.38 116.72 53.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -73.38 -175.35 1.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 57.0 m -78.9 144.08 35.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.415 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.85 12.94 84.12 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.5 mmm -106.35 127.57 53.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 111.039 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.413 ' HB2' ' CE1' ' A' ' 66' ' ' HIS . 0.1 OUTLIER -88.93 129.77 35.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 18.9 p -143.79 157.15 44.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 0.0 108.305 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -116.32 130.34 8.95 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.463 ' HB2' ' CD2' ' A' ' 60' ' ' LEU . 4.4 pp -121.91 151.18 40.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 p -130.49 134.81 47.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.051 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.57 HD22 ' CE3' ' A' ' 56' ' ' TRP . 13.3 mt -86.35 164.05 17.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.467 ' HB3' ' CG2' ' A' ' 61' ' ' THR . 2.2 p30 -90.99 41.54 1.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -159.88 130.53 5.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.46 -33.65 25.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -48.12 -45.93 33.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.346 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.459 HG12 ' CD1' ' A' ' 83' ' ' LEU . 12.2 p -64.9 144.09 15.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -141.37 122.28 14.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.556 ' CE1' HD12 ' A' ' 83' ' ' LEU . 3.5 m-85 -76.04 -178.72 4.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.978 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -172.02 155.7 3.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 54.75 3.76 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -177.37 34.09 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -120.71 -172.25 2.34 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.484 0.755 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -138.68 146.83 42.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 110.319 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.7 t -127.84 99.15 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.8 mm -86.93 132.57 32.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.56 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 9.4 t -117.14 96.14 5.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 108.3 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -119.0 171.44 8.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.01 170.64 9.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -120.5 110.4 16.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -91.57 -63.83 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.06 145.1 5.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.8 m -41.51 155.7 0.22 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 169.64 22.19 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.485 1.782 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 72.0 p -121.53 114.33 21.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.381 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.3 tppt? -40.84 153.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.7 m 62.89 112.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 110.386 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.3 96.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.958 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 27.3 m95 -97.07 153.9 17.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 108.06 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -143.14 108.26 5.33 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 135.65 19.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.465 1.771 . . . . 0.0 110.986 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 128.21 152.33 7.78 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 110.952 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -73.14 161.19 30.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.773 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.95 176.18 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 110.063 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.49 92.9 2.26 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.115 . . . . 0.0 111.033 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 67.65 5.85 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.504 1.792 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.0 t -137.12 122.33 19.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.031 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.43 159.93 28.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.028 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m -69.15 138.85 54.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 0.771 . . . . 0.0 109.992 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 p -143.55 119.63 10.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.91 -102.24 2.61 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.0 p -174.44 112.29 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.753 . . . . 0.0 109.98 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.69 141.18 50.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.018 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.68 164.37 31.63 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -93.13 152.73 41.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.444 0.732 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 128.49 11.52 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.494 1.786 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.448 ' CD1' ' HA ' ' A' ' 99' ' ' TYR . 2.7 mt -69.74 -31.92 50.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 179.55 142.13 4.87 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.446 ' HB2' ' CE ' ' A' ' 37' ' ' LYS . 35.4 mt-10 -106.32 146.21 30.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.766 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 96' ' ' VAL . . . -141.2 135.01 30.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 33' ' ' CYS . 3.5 m -105.51 161.52 14.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.466 HD11 ' CD1' ' A' ' 48' ' ' LEU . 88.6 mt -101.9 124.48 55.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.493 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 6.5 mt -98.91 -37.85 9.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -145.35 151.45 38.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.457 HG23 ' CG2' ' A' ' 15' ' ' ILE . 30.7 p -133.93 135.9 43.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.457 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.47 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 14.1 p90 -153.6 -178.06 6.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -124.04 163.27 21.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.42 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.463 HG22 ' CG2' ' A' ' 30' ' ' VAL . 8.0 m -133.79 157.61 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.4 m -116.54 133.6 55.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.391 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -145.96 100.7 3.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . 75.38 40.88 32.1 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 111.034 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 4.2 tttt 87.2 -45.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.477 ' CE ' HG13 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -58.76 167.89 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.266 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.42 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -132.52 108.12 8.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.477 HG13 ' CE ' ' A' ' 26' ' ' LYS . 4.0 mp -94.69 129.89 34.93 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 138.81 23.44 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 110.962 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.47 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 51.5 t -129.52 154.8 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -139.66 119.52 13.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.88 115.49 26.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 14' ' ' SER . 1.3 p -124.79 149.13 47.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 108.3 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.493 ' HB2' ' CD1' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -112.18 121.94 46.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 30.6 t -60.02 119.3 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -99.69 -28.78 13.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.285 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.446 ' CE ' ' HB2' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -150.97 139.57 20.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.08 -147.23 42.56 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -143.82 170.16 16.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.763 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.0 mt -117.63 124.83 49.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -109.22 165.36 11.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.2 69.27 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -179.97 -45.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.657 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -52.09 175.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.558 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.4 OUTLIER -95.06 156.11 16.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.593 ' CZ ' ' SG ' ' A' ' 98' ' ' CYS . 18.9 m-85 -146.22 171.61 14.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 111.054 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -163.7 150.7 12.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.466 ' CD1' HD11 ' A' ' 15' ' ' ILE . 25.7 tp -105.0 120.39 41.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.48 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 2.1 mp -106.77 117.13 51.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 8.3 ttm180 -123.66 114.22 19.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 0.6 OUTLIER 77.15 1.0 3.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.82 -15.19 24.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.446 1.091 . . . . 0.0 111.049 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -99.73 146.52 26.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.3 t -86.72 135.6 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.428 HD11 ' CB ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -108.09 -33.48 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.544 ' CE3' HD23 ' A' ' 83' ' ' LEU . 69.7 t90 -137.8 135.54 36.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 107.99 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -137.92 113.76 9.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.465 ' O ' ' CH2' ' A' ' 56' ' ' TRP . . . 167.41 -166.77 39.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 p -91.79 152.68 20.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 109.96 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.426 HD22 ' CD1' ' A' ' 81' ' ' LEU . 15.2 mt -74.8 153.89 38.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 59.7 p -90.77 -27.72 18.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 110.398 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.7 m -157.69 157.24 33.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.4 tp -154.11 115.26 4.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -131.83 155.7 47.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.606 ' CD2' ' O ' ' A' ' 78' ' ' ASP . 64.4 t-80 -112.32 46.05 1.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.567 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.3 m170 70.06 107.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.598 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.0 tttm 41.94 64.99 0.95 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 173.55 94.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.243 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.37 82.91 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.442 HG22 ' CD1' ' A' ' 73' ' ' ILE . 13.8 tt -91.84 167.27 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.9 t -115.7 -36.37 4.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.981 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.2 t -117.52 142.26 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.442 ' CD1' HG22 ' A' ' 70' ' ' ILE . 19.0 mm -122.01 117.34 52.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.098 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -73.49 -178.02 2.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 73.0 m -79.13 145.49 33.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.404 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 75.39 18.0 80.03 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.562 ' HE2' ' CD2' ' A' ' 65' ' ' HIS . 4.2 mmm -109.97 136.67 48.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.606 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 0.4 OUTLIER -94.57 127.51 40.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 14.2 p -140.73 156.37 46.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 108.324 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -118.85 128.73 7.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.153 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.426 ' CD1' HD22 ' A' ' 60' ' ' LEU . 4.6 pp -121.25 163.53 18.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.43 0.723 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 12.8 p -145.06 145.15 31.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.97 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.544 HD23 ' CE3' ' A' ' 56' ' ' TRP . 10.1 mt -97.42 147.04 24.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.18 -26.04 67.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.27 92.03 7.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.264 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -56.45 -18.75 12.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -44.59 91.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 47.5 t -66.77 128.6 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -120.65 136.53 54.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 110.263 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -89.48 -172.73 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.09 158.66 2.18 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 58.23 4.85 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.461 1.769 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -178.35 35.07 0.08 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -126.44 179.91 5.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.784 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -133.31 154.18 50.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 13' ' ' ALA . 24.9 t -130.82 98.69 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.557 ' CD1' ' N ' ' A' ' 97' ' ' ILE . 1.2 mp -86.27 114.64 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.593 ' SG ' ' CZ ' ' A' ' 46' ' ' PHE . 38.7 t -99.49 97.14 8.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 108.336 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.448 ' HA ' ' CD1' ' A' ' 10' ' ' ILE . 3.1 p90 -144.69 176.21 9.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 111.041 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.22 152.6 21.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.6 81.65 1.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -135.36 163.83 29.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -89.32 140.43 29.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.405 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 0.9 OUTLIER -170.65 131.6 0.89 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 104' ' ' VAL . 18.3 Cg_endo -75.0 94.35 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.498 1.789 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.1 t -66.13 174.33 2.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.403 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -136.45 -59.05 0.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 16.4 m -50.66 155.69 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 110.411 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.58 85.68 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -166.99 129.16 1.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 108.015 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -128.38 150.69 74.96 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 161.48 38.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.447 1.762 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -174.19 71.5 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -145.62 134.57 22.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 0.779 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.83 146.49 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.013 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -170.93 71.24 0.12 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -46.95 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.776 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.9 t -169.25 -58.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.04 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.11 150.26 52.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.007 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.455 1.097 . . . . 0.0 111.039 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.52 145.82 30.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 110.006 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m -83.78 139.26 32.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.025 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.17 -100.92 2.62 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.9 p -158.54 127.22 5.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 0.756 . . . . 0.0 109.995 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.3 t -132.19 116.98 17.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.033 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.54 -156.35 29.46 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -101.97 155.18 36.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.759 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 134.73 18.09 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.445 1.76 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.3 mt -77.26 -43.81 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.409 ' CA ' ' HA3' ' A' ' 38' ' ' GLY . . . -163.41 142.02 7.55 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -101.89 161.57 13.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 110.347 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -149.86 148.36 29.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.38 128.68 49.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.475 HD13 ' CD1' ' A' ' 48' ' ' LEU . 56.8 mt -77.27 116.36 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.44 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 15.3 mt -90.18 -35.79 15.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -147.32 163.85 35.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.437 HG21 ' CG2' ' A' ' 15' ' ' ILE . 15.3 p -142.39 146.75 35.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.163 . . . . 0.0 110.396 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.55 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 22.9 p90 -165.06 -177.34 4.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.1 m -122.28 169.14 11.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 110.391 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.462 HG23 ' CG2' ' A' ' 30' ' ' VAL . 5.2 m -142.17 159.2 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.5 m -112.8 135.35 53.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -140.34 99.16 3.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.25 -49.97 4.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -174.19 -40.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.302 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.419 ' CG ' ' N ' ' A' ' 27' ' ' LYS . 3.3 ttpm? -67.78 158.98 31.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.419 ' N ' ' CG ' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -118.68 105.44 11.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.7 mp -92.18 122.49 64.78 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 123.62 8.01 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.789 . . . . 0.0 110.955 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.55 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 70.2 t -107.15 157.78 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -138.02 116.22 11.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.07 121.74 29.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 p -133.91 153.39 51.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 108.311 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.44 ' HB2' ' CD1' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -107.68 127.01 53.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.33 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.449 ' CG2' HG21 ' A' ' 73' ' ' ILE . 89.7 t -67.84 112.98 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -87.02 -43.64 12.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.52 147.47 31.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.409 ' HA3' ' CA ' ' A' ' 11' ' ' GLY . . . 78.22 -142.59 26.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -160.45 154.2 22.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 0.746 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.549 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -115.18 123.32 48.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.435 ' HG3' ' CG2' ' A' ' 72' ' ' VAL . 1.1 tt0 -102.16 178.25 4.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.02 58.35 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.411 ' O ' ' O ' ' A' ' 44' ' ' LYS . 37.1 t-80 -175.8 -44.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.614 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 43' ' ' HIS . 32.1 mmtt -51.81 -176.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.559 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 1.2 mttt -101.03 155.26 18.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.559 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 25.2 m-85 -150.23 177.29 10.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -161.99 152.38 17.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.475 ' CD1' HD13 ' A' ' 15' ' ' ILE . 16.9 tp -104.08 118.27 36.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.467 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 2.8 mp -104.1 115.51 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 20.4 ttp85 -121.17 111.43 17.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.575 1.172 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 0.8 OUTLIER 78.42 1.0 2.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.23 -16.9 22.15 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -97.06 148.06 23.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 0.737 . . . . 0.0 110.335 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 t -87.74 136.55 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.257 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.407 HD11 ' CB ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -109.07 -43.08 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.569 ' CE3' HD23 ' A' ' 83' ' ' LEU . 22.5 t90 -126.66 139.72 52.95 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.98 132.12 31.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.364 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 147.07 -162.42 28.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.6 m -96.72 148.12 23.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 0.724 . . . . 0.0 109.985 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.477 ' HG ' ' CD1' ' A' ' 46' ' ' PHE . 12.4 mt -72.67 163.09 28.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.352 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 76.4 p -110.34 -17.38 13.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.431 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -153.45 159.8 42.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.021 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.7 tp -169.13 106.43 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -117.15 156.3 27.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.363 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.501 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 3.0 t60 -109.99 71.5 0.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.645 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 75.6 -71.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.606 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.97 57.58 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -165.18 118.82 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -71.53 81.81 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.431 ' CG2' ' CD1' ' A' ' 73' ' ' ILE . 13.0 tt -93.85 171.33 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -114.53 -37.46 4.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.97 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.435 ' CG2' ' HG3' ' A' ' 41' ' ' GLU . 21.2 t -117.11 151.64 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.449 HG21 ' CG2' ' A' ' 35' ' ' VAL . 17.5 mm -132.86 108.04 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -72.51 -174.58 1.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 92.0 m -77.35 146.7 36.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.56 -1.27 72.84 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.1 mmm -95.36 128.33 42.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.63 135.42 33.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 109.238 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 29.5 p -152.22 163.64 39.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.162 . . . . 0.0 108.3 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -124.44 134.04 8.92 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.4 pp -121.05 157.68 29.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 0.785 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 m -144.35 133.08 22.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.975 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.569 HD23 ' CE3' ' A' ' 56' ' ' TRP . 3.2 mt -90.17 140.22 29.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -50.35 -24.93 3.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -87.69 133.65 33.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.327 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -94.03 -25.59 17.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.35 -44.37 80.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.7 p -64.97 124.44 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -116.5 137.77 51.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -96.51 166.49 11.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 111.034 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -150.15 157.96 36.94 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 55.12 3.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.508 1.793 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.13 33.84 0.09 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -118.04 -168.61 1.54 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -147.42 148.06 30.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.5 t -120.44 99.13 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.542 ' CD1' ' N ' ' A' ' 97' ' ' ILE . 1.2 mp -87.76 132.31 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.42 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 8.0 t -115.51 101.37 8.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.303 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -123.87 165.75 16.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.02 142.29 46.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -78.92 91.68 4.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 110.27 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -161.75 134.58 6.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.77 144.27 31.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.443 ' CG2' ' HD2' ' A' ' 105' ' ' PRO . 2.6 p -125.02 142.13 40.36 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.443 ' HD2' ' CG2' ' A' ' 104' ' ' VAL . 18.3 Cg_endo -75.0 112.84 3.66 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.518 1.799 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.2 t -147.43 147.81 30.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.371 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.14 -31.45 14.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.5 t -171.5 152.78 3.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.392 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.0 p -109.07 83.05 1.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.957 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -51.23 139.12 19.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 107.96 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -155.14 129.9 5.0 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.347 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.04 19.09 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.497 1.788 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 120.57 129.13 3.7 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.46 1.1 . . . . 0.0 110.965 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -163.97 111.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 0.782 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.4 t 50.06 86.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.029 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -121.76 101.44 0.76 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.47 1.106 . . . . 0.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -36.58 2.53 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.519 1.8 . . . . 0.0 111.048 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 52.82 93.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.36 130.69 43.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 0.0 110.961 179.926 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 t -91.17 87.54 6.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 t -58.17 140.99 51.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.014 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.94 142.55 9.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.146 . . . . 0.0 110.973 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.79 170.29 1.96 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 0.762 . . . . 0.0 109.984 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -134.12 106.43 7.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.04 154.34 16.78 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -55.97 154.87 13.19 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.555 0.797 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 128.85 11.79 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.466 1.772 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.6 mt -67.74 -38.17 79.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -177.72 144.02 6.39 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.464 1.102 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -104.71 171.13 7.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 0.739 . . . . 0.0 110.344 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -161.58 133.25 5.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 m -99.82 144.81 28.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.469 ' CG2' HG21 ' A' ' 18' ' ' THR . 59.4 mt -90.34 118.47 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 mt -91.93 -40.11 11.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -143.86 159.17 43.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.469 HG21 ' CG2' ' A' ' 15' ' ' ILE . 24.7 p -142.91 134.72 26.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.401 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -152.12 -177.81 6.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 m -119.09 163.34 17.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.464 ' CG2' HG23 ' A' ' 30' ' ' VAL . 4.9 m -139.51 160.22 27.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.403 ' O ' ' OE1' ' A' ' 23' ' ' GLU . 10.0 m -101.88 133.14 47.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.402 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' A' ' 22' ' ' THR . 6.7 mm-40 -145.68 98.95 3.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.18 33.89 48.09 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.499 1.124 . . . . 0.0 111.051 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 74.61 15.41 3.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -106.68 -179.68 4.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.07 100.48 6.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.7 mm -100.09 118.33 61.67 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 130.89 13.7 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.464 HG23 ' CG2' ' A' ' 21' ' ' VAL . 76.5 t -120.85 157.57 23.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.512 ' HB1' ' CG ' ' A' ' 90' ' ' PHE . . . -138.27 116.81 12.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.09 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.66 111.28 21.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.5 p -122.6 145.43 48.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 108.319 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.92 119.94 39.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 110.273 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.9 t -60.99 116.77 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -92.67 -35.61 13.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -148.68 143.5 26.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.06 -147.14 49.0 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.563 1.165 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.403 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 9.9 pt20 -143.07 167.86 21.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.442 ' O ' ' HA ' ' A' ' 72' ' ' VAL . 35.0 mt -116.63 122.61 45.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.43 ' CB ' ' CG ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -78.83 178.6 7.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.423 ' HD2' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -110.66 -35.48 5.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -92.57 -36.37 13.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.562 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.43 ' CG ' ' CB ' ' A' ' 41' ' ' GLU . 26.7 mmtt -44.74 168.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.577 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 1.5 mptp? -91.84 154.82 18.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.577 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 23.3 m-85 -148.56 174.41 12.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.2 pttt -160.31 151.05 18.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.465 ' CD1' HD12 ' A' ' 15' ' ' ILE . 24.8 tp -104.09 119.75 39.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.506 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 2.3 mp -107.2 116.13 50.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 27.8 ttp85 -121.52 112.12 18.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 4.3 t30 78.16 1.36 2.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.75 -15.03 26.75 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -95.95 149.11 21.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 0.726 . . . . 0.0 110.277 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 t -90.49 132.43 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.411 HD11 ' N ' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -105.98 -41.9 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.534 ' CH2' HD22 ' A' ' 83' ' ' LEU . 71.5 t90 -125.42 138.01 54.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 108.001 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.38 113.59 9.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 168.28 -152.36 20.35 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.74 146.24 36.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.777 . . . . 0.0 110.013 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.504 HD12 ' CZ ' ' A' ' 46' ' ' PHE . 18.8 mt -64.84 154.67 36.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.6 p -92.3 -27.05 17.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.422 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.9 m -158.33 176.83 11.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.97 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.423 ' N ' ' HD2' ' A' ' 42' ' ' ARG . 3.9 tp -176.23 107.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -116.08 153.32 31.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.505 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 2.1 t60 -104.39 59.27 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.609 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.49 ' CB ' ' O ' ' A' ' 65' ' ' HIS . 24.8 t-80 86.27 -65.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.635 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -152.5 73.55 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 174.94 151.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.32 82.65 2.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.402 ' CG2' HD11 ' A' ' 73' ' ' ILE . 9.2 tt -97.13 162.14 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.0 p -92.2 -58.4 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.442 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 15.2 m -105.04 167.02 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.439 ' CD1' ' HB2' ' A' ' 65' ' ' HIS . 23.5 mm -132.48 101.62 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -54.02 177.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.258 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.2 m -74.56 150.33 39.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.373 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.54 -1.96 59.79 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.1 mmm -89.1 135.66 33.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 0.736 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.11 124.22 45.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 30.9 p -141.98 161.25 38.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 108.277 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -125.66 123.89 5.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.438 ' CD1' HD23 ' A' ' 60' ' ' LEU . 4.6 pp -112.91 169.41 8.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.3 p -146.61 153.89 40.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.014 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.534 HD22 ' CH2' ' A' ' 56' ' ' TRP . 11.7 mt -106.34 143.49 34.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -53.6 -22.47 8.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -94.85 134.49 37.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -90.6 -32.85 16.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.347 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.92 -45.71 51.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.3 p -65.96 130.72 31.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -128.19 131.87 48.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.512 ' CG ' ' HB1' ' A' ' 31' ' ' ALA . 1.6 m-85 -81.69 150.69 27.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -133.15 155.41 81.01 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 55.02 3.82 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.543 1.812 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.88 33.88 0.08 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -121.81 -175.76 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.789 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -133.59 155.61 49.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.2 t -133.51 99.01 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.568 ' CD1' ' N ' ' A' ' 97' ' ' ILE . 1.3 mp -88.44 122.39 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.495 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 31.8 t -105.98 98.6 8.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.299 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -133.08 176.09 8.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.43 129.28 52.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -58.75 6.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -82.28 148.21 28.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.14 87.46 3.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.7 m -70.58 153.13 95.16 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 152.7 41.0 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.461 1.769 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.6 t -125.56 165.29 18.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.372 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -143.11 144.2 32.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.3 m 46.95 79.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.393 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 46.3 t -147.06 117.18 7.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.977 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 6.5 t-105 -165.35 100.54 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.14 154.23 37.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -42.34 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 49.83 -163.69 0.66 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -132.77 -52.92 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 0.785 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.89 90.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -162.16 -160.47 11.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.62 42.71 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.514 1.797 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 68.0 p -165.41 113.37 0.98 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.975 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.88 153.61 40.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.97 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.526 1.142 . . . . 0.0 111.0 179.97 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.76 -58.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.78 . . . . 0.0 109.974 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.8 138.54 57.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.007 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.34 101.17 0.57 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.125 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.61 117.37 9.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 0.763 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -176.56 -57.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.943 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.14 149.3 0.58 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -100.94 155.15 36.64 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.565 0.803 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 127.73 10.92 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.511 1.795 . . . . 0.0 111.026 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.428 ' N ' ' O ' ' A' ' 98' ' ' CYS . 70.0 mt -68.99 -42.35 82.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 177.84 144.42 5.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.564 1.165 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -100.64 164.74 11.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.474 ' CB ' HD13 ' A' ' 40' ' ' LEU . . . -158.73 134.24 8.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.2 m -100.94 149.69 23.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.006 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.486 HD11 ' CD1' ' A' ' 48' ' ' LEU . 53.2 mt -91.98 119.59 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.433 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 10.6 mt -91.43 -36.4 13.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.26 163.15 39.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.407 HG23 ' CG2' ' A' ' 15' ' ' ILE . 19.1 p -142.38 138.69 31.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.445 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -155.26 -177.87 6.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 m -117.4 165.5 13.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.409 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.453 HG21 ' CG2' ' A' ' 30' ' ' VAL . 6.7 m -136.3 158.45 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.3 m -116.32 136.99 52.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.383 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -141.97 99.3 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 110.316 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.24 -48.09 3.98 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.41 -39.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.65 175.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.03 106.08 7.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.457 ' CD1' ' N ' ' A' ' 28' ' ' ILE . 3.0 mp -97.21 127.66 37.72 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 28' ' ' ILE . 18.4 Cg_endo -74.95 142.74 28.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.453 ' CG2' HG21 ' A' ' 21' ' ' VAL . 56.0 t -132.09 152.29 36.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.514 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . . . -132.55 115.18 15.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.75 116.8 22.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.7 p -127.92 145.12 51.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 108.283 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.433 ' HB2' ' CD1' ' A' ' 16' ' ' LEU . 1.6 tpt180 -105.66 115.75 30.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.9 t -56.31 118.65 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 109.326 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -93.45 -37.08 12.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -144.62 147.13 32.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.08 -146.29 45.55 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 8.3 pt20 -143.83 170.78 15.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 0.777 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.474 HD13 ' CB ' ' A' ' 13' ' ' ALA . 16.8 mt -116.03 122.75 46.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.465 ' CB ' ' HG3' ' A' ' 44' ' ' LYS . 0.3 OUTLIER -75.5 171.14 14.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.412 1.07 . . . . 0.0 110.325 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.542 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -111.13 122.53 48.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 110.282 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.542 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 2.0 t60 90.41 -24.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.566 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.465 ' HG3' ' CB ' ' A' ' 41' ' ' GLU . 37.0 mmtt -49.92 179.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.574 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 5.8 mptt -90.53 141.49 28.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.574 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 21.8 m-85 -148.03 179.11 7.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -162.22 152.03 16.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.486 ' CD1' HD11 ' A' ' 15' ' ' ILE . 28.8 tp -104.21 121.31 43.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.557 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 1.8 mp -110.85 113.06 43.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 21.2 ttm180 -119.96 113.47 20.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.26 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 7.8 m-20 77.66 1.27 2.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.08 -14.95 28.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -94.91 149.24 21.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 0.785 . . . . 0.0 110.296 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.5 t -92.25 126.36 44.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -99.87 -41.85 9.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.534 ' CE3' HD23 ' A' ' 83' ' ' LEU . 59.8 t90 -128.3 135.88 50.22 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.95 115.93 11.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 169.19 -145.4 9.38 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.42 141.2 48.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 0.736 . . . . 0.0 109.996 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.518 ' HG ' ' CD1' ' A' ' 46' ' ' PHE . 67.1 mt -59.25 168.55 1.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.413 HG22 ' N ' ' A' ' 84' ' ' ASP . 35.9 p -108.21 -23.17 12.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.384 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -167.38 156.16 9.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.406 ' N ' ' HD2' ' A' ' 42' ' ' ARG . 14.9 tp -155.33 105.09 2.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -115.25 162.09 17.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.514 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 3.5 t60 -112.76 62.11 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.608 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 75.19 -72.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.617 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -146.06 74.59 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.168 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 169.97 116.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.07 81.94 0.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.9 tt -95.81 160.11 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.25 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.79 -58.69 2.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 10.3 m -102.82 163.46 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.442 ' CD1' ' HB2' ' A' ' 65' ' ' HIS . 28.6 mm -128.08 101.63 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -58.14 176.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.3 m -73.43 145.15 45.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.94 -11.64 56.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.135 . . . . 0.0 110.961 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.432 ' SD ' ' CE1' ' A' ' 65' ' ' HIS . 2.6 mmm -83.23 128.68 34.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.65 127.62 38.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 27.1 p -141.23 159.71 41.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 108.318 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -126.54 121.4 4.01 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.547 1.155 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.45 ' CD1' HD22 ' A' ' 60' ' ' LEU . 4.5 pp -109.91 168.07 9.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 0.788 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 29.3 t -144.81 150.53 37.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.534 HD23 ' CE3' ' A' ' 56' ' ' TRP . 5.4 mt -103.39 148.03 26.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.413 ' N ' HG22 ' A' ' 61' ' ' THR . 4.8 p-10 -63.12 -21.99 66.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -99.86 77.32 2.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.14 -27.0 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -48.79 -47.91 41.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.424 ' CG1' ' HB2' ' A' ' 56' ' ' TRP . 44.9 t -65.35 127.04 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -116.17 135.44 53.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.343 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.514 ' CD2' ' HB3' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -87.7 162.8 16.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 111.042 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -143.67 156.6 59.59 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 54.8 3.74 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.501 1.79 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -177.54 34.27 0.08 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.549 1.156 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.08 -168.14 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 0.73 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' ILE . 16.5 mt-30 -143.2 153.87 43.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.7 t -133.97 99.46 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.554 ' CD1' ' N ' ' A' ' 97' ' ' ILE . 1.3 mp -92.78 113.68 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.465 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 34.2 t -92.95 120.79 33.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 108.292 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -143.58 175.0 10.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -131.52 134.37 46.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.348 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -83.0 86.61 6.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -159.64 166.22 31.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.63 118.99 20.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.2 p -162.42 137.03 5.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 148.37 35.43 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.6 p -122.26 106.07 10.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -82.03 -58.03 3.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 48.3 m 43.36 80.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.376 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.83 80.91 1.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.995 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -128.61 153.65 47.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 108.0 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -155.34 140.2 12.04 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 153.76 42.01 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.453 1.765 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 142.53 135.89 3.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.536 1.148 . . . . 0.0 110.955 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 53.35 175.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 0.766 . . . . 0.0 110.994 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.5 m 62.06 113.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.976 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -142.54 -158.72 7.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.449 1.093 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 161.92 37.92 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 30.5 t -173.18 153.05 2.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 67.6 m -142.51 152.04 42.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 55.42 81.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 110.0 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.1 t -154.18 93.62 1.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.001 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.29 105.99 0.2 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.23 123.62 45.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 0.779 . . . . 0.0 109.997 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.7 p -137.23 139.12 40.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.29 -175.01 46.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.526 1.142 . . . . 0.0 111.026 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -122.15 154.37 61.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 131.49 14.35 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.491 1.785 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.7 mt -73.43 -42.41 56.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -172.1 146.3 9.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -108.32 163.5 13.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.62 131.0 15.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.56 139.54 33.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 110.04 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.469 ' CG2' HG22 ' A' ' 18' ' ' THR . 42.7 mt -85.17 118.98 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.482 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 9.1 mt -92.21 -39.95 11.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -143.27 152.62 41.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.469 HG22 ' CG2' ' A' ' 15' ' ' ILE . 29.9 p -133.96 138.43 45.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.418 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 7.2 p90 -161.45 178.48 9.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.078 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 m -116.14 163.03 16.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.415 HG23 ' CG2' ' A' ' 30' ' ' VAL . 3.2 m -130.35 161.3 40.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.8 m -121.39 137.17 54.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.369 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -138.34 99.31 3.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.34 -51.07 4.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -170.56 -44.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 0.761 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 163.35 9.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.92 107.44 11.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 3.5 mp -93.2 135.95 25.05 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.416 ' CG ' ' HA ' ' A' ' 86' ' ' GLU . 18.3 Cg_endo -74.99 147.53 34.08 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.799 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.415 ' CG2' HG23 ' A' ' 21' ' ' VAL . 51.5 t -143.07 156.03 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.529 ' HB1' ' CD2' ' A' ' 90' ' ' PHE . . . -141.18 115.27 9.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -82.75 102.98 11.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.2 p -113.26 163.68 14.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 108.304 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.482 ' HB2' ' CD1' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -126.25 121.33 32.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.5 t -61.29 108.87 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -86.97 -40.86 14.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.54 138.97 38.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.9 -148.73 41.89 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.448 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 11.7 pt20 -146.47 172.26 13.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.783 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.4 mt -117.23 124.72 49.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -107.95 123.85 49.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.476 ' CG ' ' HB3' ' A' ' 63' ' ' LEU . 0.8 OUTLIER -71.06 75.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 110.296 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -178.5 -48.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.594 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -55.63 -170.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.598 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 1.2 mttm -102.8 165.91 10.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.598 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 18.9 m-85 -149.68 169.73 20.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -163.07 151.53 14.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.41 ' O ' ' CD1' ' A' ' 55' ' ' ILE . 24.0 tp -104.38 122.82 46.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.535 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 1.7 mp -107.34 122.19 61.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.454 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 24.8 ttm180 -127.36 111.61 14.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 11.4 t-20 79.1 -0.65 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.08 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.8 -13.15 22.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -99.44 148.08 24.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.74 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.5 t -86.21 136.32 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.359 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.423 HD11 ' N ' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -110.29 -43.23 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.489 ' CE2' ' HB3' ' A' ' 83' ' ' LEU . 66.1 t90 -126.82 135.33 50.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 107.986 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.79 129.64 28.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 153.53 -159.57 28.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.4 p -101.05 159.44 15.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 0.743 . . . . 0.0 109.965 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.523 ' HG ' ' CD1' ' A' ' 46' ' ' PHE . 88.6 mt -81.67 163.73 22.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 25.7 p -109.56 -23.78 11.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -160.99 156.5 24.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.476 ' HB3' ' CG ' ' A' ' 42' ' ' ARG . 1.2 tp -165.62 128.82 2.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -138.7 146.53 41.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -86.46 -57.31 3.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.57 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 67' ' ' LYS . 11.5 t-160 -177.45 115.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.607 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 66' ' ' HIS . 0.1 OUTLIER 39.24 34.75 0.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.28 124.63 4.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.243 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -82.03 80.97 8.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.438 ' CG2' HD12 ' A' ' 73' ' ' ILE . 10.4 tt -90.17 166.38 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.6 t -115.98 -38.47 3.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.009 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.2 t -106.59 143.58 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.448 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 46.1 mm -127.49 114.88 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -73.11 -177.88 2.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 43.5 m -78.34 143.96 36.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.373 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.96 3.6 88.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.3 mmm -97.4 129.83 44.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.783 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.41 138.23 31.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 27.0 p -153.36 160.9 42.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 108.306 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -121.16 134.78 10.31 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 pp -121.39 161.81 21.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.776 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.2 p -138.8 143.7 39.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.018 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.566 HD12 ' CE1' ' A' ' 90' ' ' PHE . 8.8 mt -98.74 143.33 29.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.64 -45.82 90.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 86' ' ' GLU . 8.8 tp10 -44.79 -63.6 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.532 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER 88.88 -17.69 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.254 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.34 -25.3 27.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.426 ' CG2' ' HB2' ' A' ' 56' ' ' TRP . 94.9 t -78.85 106.87 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -91.42 137.5 32.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.566 ' CE1' HD12 ' A' ' 83' ' ' LEU . 1.6 m-85 -86.79 -178.13 6.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.437 ' CG ' ' OD1' ' A' ' 94' ' ' ASP . 0.1 OUTLIER -165.1 155.15 11.94 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 93.34 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.538 1.809 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 151.3 -20.58 0.94 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.437 ' OD1' ' CG ' ' A' ' 91' ' ' LYS . 70.8 m-20 -67.69 -175.12 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -137.8 160.19 39.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.8 t -137.47 100.0 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.56 ' CD1' ' N ' ' A' ' 97' ' ' ILE . 1.3 mp -87.9 115.08 27.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.2 t -96.12 98.22 10.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 108.328 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -140.65 173.48 11.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -123.42 148.56 46.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -75.02 159.61 31.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 63.33 165.59 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -135.63 127.99 30.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.5 p -87.83 134.6 35.1 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 93.6 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.786 . . . . 0.0 111.053 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.8 t -109.74 -23.22 11.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.434 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.83 175.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.9 p -137.97 136.38 36.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.113 . . . . 0.0 110.396 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.9 t -133.7 108.52 8.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.022 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -122.27 94.44 4.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 107.986 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.78 145.15 44.54 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -47.23 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 66.36 -106.67 1.68 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.14 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 114' ' ' PHE . 9.1 p90 -170.48 168.77 7.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.756 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.76 166.08 33.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.973 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 129.15 79.78 0.24 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.05 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 130.04 12.92 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.794 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.7 t -135.14 84.28 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.017 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.9 m -139.54 135.43 33.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.531 1.144 . . . . 0.0 111.024 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 4' ' ' GLY . 1.4 t 53.83 91.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 0.796 . . . . 0.0 110.018 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -62.03 83.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.018 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 2' ' ' SER . . . -160.85 137.55 5.02 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -144.94 134.27 22.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 0.0 110.018 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 m -146.36 66.25 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 110.025 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.737 ' O ' ' CG ' ' A' ' 8' ' ' TYR . . . 39.76 54.72 2.86 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.737 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 5.0 p90 48.92 163.08 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.554 0.797 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 123.13 7.66 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.409 ' CD1' ' HA ' ' A' ' 99' ' ' TYR . 4.2 mt -67.35 -46.95 82.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -152.03 137.94 6.21 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -117.27 121.25 40.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 0.736 . . . . 0.0 110.257 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.05 151.35 28.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.0 132.26 53.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.474 ' CG2' HG23 ' A' ' 18' ' ' THR . 71.7 mt -75.9 119.6 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 8.8 mt -95.33 -35.39 11.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.23 155.65 43.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.474 HG23 ' CG2' ' A' ' 15' ' ' ILE . 42.8 p -137.27 141.57 41.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.428 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.639 ' CE1' ' CG1' ' A' ' 30' ' ' VAL . 13.3 p90 -158.79 179.0 9.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 m -125.19 163.55 22.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.387 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.463 ' CG2' HG22 ' A' ' 30' ' ' VAL . 7.0 m -139.62 158.18 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.3 m -107.8 137.89 45.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.37 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.43 ' HG3' ' CG1' ' A' ' 28' ' ' ILE . 1.2 mm-40 -134.03 99.05 4.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.06 -50.87 4.01 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.477 1.11 . . . . 0.0 111.014 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -169.71 -42.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 0.781 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.463 ' CG ' ' N ' ' A' ' 27' ' ' LYS . 23.8 ttpt -71.27 163.0 28.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.463 ' N ' ' CG ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -108.8 127.53 54.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.43 ' CG1' ' HG3' ' A' ' 23' ' ' GLU . 26.6 mm -104.72 125.25 34.42 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 122.7 7.37 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.639 ' CG1' ' CE1' ' A' ' 19' ' ' PHE . 78.9 t -113.28 158.03 13.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.427 ' HB1' ' CD2' ' A' ' 90' ' ' PHE . . . -143.52 123.41 13.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.92 120.06 37.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.6 p -131.58 149.36 52.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 108.287 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.459 ' HB2' ' CD1' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -111.97 120.83 43.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.7 t -56.12 109.6 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -86.75 -41.78 13.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -144.6 135.0 24.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.69 -156.43 36.68 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -141.09 165.38 27.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 72.5 mt -117.2 124.73 49.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.254 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -110.72 142.71 42.27 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.52 1.137 . . . . 0.0 110.247 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.75 68.56 7.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.352 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -169.53 -54.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.611 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -53.46 176.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.477 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.5 OUTLIER -94.66 172.14 8.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.548 ' CE2' HD12 ' A' ' 60' ' ' LEU . 45.0 m-85 -147.78 174.35 11.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.404 ' CE ' ' HB ' ' A' ' 97' ' ' ILE . 5.0 pttt -161.94 144.83 11.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.448 ' O ' ' CD1' ' A' ' 55' ' ' ILE . 14.1 tp -104.17 112.81 25.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.433 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 2.7 mp -102.29 120.7 52.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.455 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 8.9 ttm180 -125.95 111.58 14.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 4.6 t30 78.91 1.52 2.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.99 -14.47 26.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -99.79 148.19 24.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.3 t -86.71 137.67 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.448 ' CD1' ' O ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -111.89 -41.9 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.515 ' CE2' ' HB3' ' A' ' 83' ' ' LEU . 38.1 t90 -131.66 138.45 48.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 107.957 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.27 137.55 39.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 142.86 -162.64 27.43 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.488 1.118 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.0 m -98.65 156.25 16.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.768 . . . . 0.0 110.044 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.548 HD12 ' CE2' ' A' ' 46' ' ' PHE . 10.2 mt -82.04 160.27 23.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.9 p -95.32 -17.14 21.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.388 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.9 m -161.03 167.39 26.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.009 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.3 tp -169.92 106.57 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -120.48 169.29 10.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.518 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 1.4 t60 -109.23 64.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.558 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 78.55 -61.11 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.572 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -153.72 61.0 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -171.24 125.7 0.64 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.75 82.86 3.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.1 tt -95.98 169.68 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.6 t -117.28 -37.21 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.982 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.1 t -120.91 137.21 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.9 mm -116.07 128.01 73.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -85.36 177.13 7.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.1 m -75.71 140.93 42.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.375 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.415 ' HA2' ' NE ' ' A' ' 34' ' ' ARG . . . 84.63 -4.2 85.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.2 mmm -93.79 130.94 39.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 111.029 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.419 ' O ' ' ND1' ' A' ' 65' ' ' HIS . 3.1 m-20 -83.38 144.49 29.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 10.1 p -157.62 154.35 28.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 108.291 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -118.48 144.59 18.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.555 1.16 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.1 pp -139.38 164.25 30.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 43.8 p -149.75 146.51 27.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.011 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.515 ' HB3' ' CE2' ' A' ' 56' ' ' TRP . 3.5 mt -99.13 138.66 35.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -47.35 -29.65 2.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -85.26 134.93 34.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.345 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.88 -22.81 17.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.332 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -57.7 -45.09 86.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.452 HG13 ' CD1' ' A' ' 83' ' ' LEU . 8.9 p -68.55 126.32 28.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.36 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.421 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 19.7 tt0 -121.47 132.7 54.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.427 ' CD2' ' HB1' ' A' ' 31' ' ' ALA . 1.5 m-85 -82.95 -179.57 7.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.422 ' CG ' ' O ' ' A' ' 90' ' ' PHE . 16.3 mtmt -166.48 157.16 11.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 54.61 3.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.513 1.797 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.74 33.34 0.08 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 0.4 OUTLIER -116.3 -168.0 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -145.85 145.78 30.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.274 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 18.2 t -129.42 98.28 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.404 ' HB ' ' CE ' ' A' ' 47' ' ' LYS . 21.9 mm -88.75 126.59 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 8.4 t -108.66 100.34 9.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 108.329 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.409 ' HA ' ' CD1' ' A' ' 10' ' ' ILE . 41.8 p90 -118.65 176.72 5.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -126.91 125.05 40.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.331 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.4 124.38 28.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -175.34 158.45 2.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -93.08 66.29 4.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.9 m -76.75 155.0 83.37 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 109.37 2.92 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.549 1.815 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.2 p -47.64 110.17 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.388 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -124.9 128.54 48.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 58.4 p -140.17 154.27 46.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.428 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.2 t -177.21 124.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.034 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -167.88 123.8 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 107.991 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -115.74 104.35 52.91 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 175.59 11.04 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.802 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -168.51 147.26 11.17 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -142.95 155.69 44.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 0.783 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.66 135.52 13.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 150.7 113.09 0.59 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 177.86 8.0 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.511 1.795 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 10.3 p -115.34 170.39 8.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.133 . . . . 0.0 110.003 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 64.9 139.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.048 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.494 1.122 . . . . 0.0 110.981 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.99 -58.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 0.754 . . . . 0.0 110.051 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 t -161.43 127.22 3.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.04 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.75 145.33 17.18 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.546 1.154 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.91 107.26 6.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 0.0 109.978 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -115.26 92.25 3.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.0 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.42 -178.98 39.47 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.467 1.104 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -109.28 156.86 38.64 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 110.958 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 124.6 8.76 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.53 1.805 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.0 mt -73.9 -45.91 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -168.97 152.37 19.95 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -112.75 126.75 55.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 0.734 . . . . 0.0 110.331 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.43 164.9 12.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.19 130.25 40.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.964 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.467 ' CG2' HG21 ' A' ' 18' ' ' THR . 30.0 mt -73.98 115.47 15.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.471 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 23.6 mt -89.9 -35.92 15.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -148.45 158.33 44.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.467 HG21 ' CG2' ' A' ' 15' ' ' ILE . 25.9 p -140.45 141.22 35.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.433 ' CZ ' HG12 ' A' ' 30' ' ' VAL . 9.7 p90 -160.91 177.04 10.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -115.04 163.37 15.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.384 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.457 HG23 ' CG2' ' A' ' 30' ' ' VAL . 6.0 m -134.02 158.96 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.8 m -116.84 135.88 53.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.453 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -138.71 99.31 3.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.9 -49.17 4.03 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -173.14 -44.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.77 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 170.74 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.96 103.31 6.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.417 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 3.3 mp -90.3 129.31 45.96 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 28' ' ' ILE . 18.3 Cg_endo -75.0 140.57 25.61 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.457 ' CG2' HG23 ' A' ' 21' ' ' VAL . 42.2 t -129.26 147.82 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.523 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -133.23 114.07 13.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.76 117.47 23.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.8 p -129.65 151.6 50.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 108.328 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.471 ' HB2' ' CD1' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -114.59 124.05 50.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.54 HG22 ' CD2' ' A' ' 40' ' ' LEU . 79.4 t -63.33 104.11 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -80.12 -41.21 25.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -137.4 146.84 44.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.581 1.175 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.25 -128.56 11.72 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.533 1.146 . . . . 0.0 111.032 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -161.1 164.68 30.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 0.727 . . . . 0.0 110.282 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.54 ' CD2' HG22 ' A' ' 35' ' ' VAL . 4.8 mp -114.1 123.97 50.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.451 ' O ' ' CD2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -96.21 -179.99 4.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.13 -35.75 6.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.275 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -90.06 -43.85 10.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.578 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -41.02 157.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -84.56 166.72 16.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.559 ' CD1' ' HG ' ' A' ' 60' ' ' LEU . 91.0 m-85 -151.6 178.27 9.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.485 ' HE2' ' CE1' ' A' ' 99' ' ' TYR . 3.0 pttt -163.64 148.29 10.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.5 ' O ' ' CD1' ' A' ' 55' ' ' ILE . 35.7 tp -103.78 119.61 39.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.497 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 2.0 mp -104.98 123.93 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 16.6 ttm180 -131.81 111.86 11.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 1.4 t-20 81.98 -1.22 1.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.63 -10.79 28.01 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.494 1.121 . . . . 0.0 110.934 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -104.14 147.87 26.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 0.79 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 t -83.31 140.81 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -114.32 -41.5 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.496 ' CE2' ' HB3' ' A' ' 83' ' ' LEU . 63.9 t90 -126.43 138.17 53.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.014 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.427 ' CD ' ' N ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -138.04 133.42 33.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 149.83 -140.89 8.37 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 p -124.22 149.22 46.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.762 . . . . 0.0 110.015 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.559 ' HG ' ' CD1' ' A' ' 46' ' ' PHE . 25.8 mt -69.17 154.8 41.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 82.7 p -91.86 -19.0 22.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.39 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.9 m -167.21 158.05 11.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.451 ' CD2' ' O ' ' A' ' 41' ' ' GLU . 15.4 tp -156.64 102.87 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -114.48 142.1 46.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -90.08 -70.47 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.565 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 67' ' ' LYS . 22.8 t-160 -173.58 118.55 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.642 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' HIS . 0.0 OUTLIER 39.85 42.36 1.02 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.44 111.34 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -70.85 80.6 0.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.137 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.412 ' CG2' HD11 ' A' ' 73' ' ' ILE . 17.1 tt -88.32 163.15 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.4 t -114.93 -33.81 5.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.945 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.0 t -111.3 145.11 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.412 HD11 ' CG2' ' A' ' 70' ' ' ILE . 6.7 mm -129.22 113.51 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -70.2 173.75 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.8 m -72.1 131.41 42.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.7 2.12 63.3 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.9 mmm -101.55 134.56 44.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 0.782 . . . . 0.0 111.015 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -86.79 149.59 24.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 12.2 p -163.23 154.08 16.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 108.328 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -118.26 133.87 10.63 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.458 ' CD1' HD22 ' A' ' 60' ' ' LEU . 4.6 pp -125.58 160.68 28.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.6 m -145.3 134.55 22.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.496 ' HB3' ' CE2' ' A' ' 56' ' ' TRP . 6.0 mt -87.23 144.02 27.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -57.16 -20.56 27.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -95.24 131.72 40.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -90.01 -26.83 20.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.278 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.4 mtmm -53.91 -45.8 71.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.443 HG12 ' CD1' ' A' ' 83' ' ' LEU . 9.3 p -66.96 135.25 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -128.88 138.28 51.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.523 ' CD2' ' HB2' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -91.0 -176.02 4.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.977 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.41 ' N ' HG23 ' A' ' 18' ' ' THR . 0.0 OUTLIER -174.07 158.37 2.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 55.47 3.97 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.532 1.806 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.47 34.23 0.09 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -124.2 -178.95 4.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -130.94 151.47 51.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.4 t -127.97 99.31 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 20.5 mm -88.83 116.52 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.543 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 10.5 t -97.64 98.72 10.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 108.342 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.485 ' CE1' ' HE2' ' A' ' 47' ' ' LYS . 18.9 p90 -121.07 160.08 24.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.932 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -122.75 128.9 51.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.75 98.66 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -175.43 139.85 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -84.94 140.19 31.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.473 ' CG2' ' HD2' ' A' ' 105' ' ' PRO . 3.0 p -169.47 142.33 2.11 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 104' ' ' VAL . 18.3 Cg_endo -74.98 169.74 21.96 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 110.953 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 32.2 p -72.67 131.66 42.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.422 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.03 149.88 25.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 68.8 m -128.49 145.95 50.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.431 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.38 -57.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER 61.87 98.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 107.964 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -166.38 140.86 3.56 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -42.12 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.471 1.774 . . . . 0.0 111.024 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 147.91 108.64 0.52 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 52.52 94.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.13 159.13 16.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -146.3 97.21 0.18 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 79.33 2.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.798 . . . . 0.0 110.939 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 9.6 t -53.01 138.69 29.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.1 m -106.79 154.62 20.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.99 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.464 ' HB3' ' CG2' ' A' ' 97' ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 110.97 -0.434 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.3 mt -77.89 -44.34 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -165.31 143.62 8.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.545 ' CG ' HD12 ' A' ' 97' ' ' ILE . 1.4 mp0 -103.03 134.75 45.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.29 135.95 50.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 11.6 m -106.25 145.21 31.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.469 ' CG2' HG22 ' A' ' 18' ' ' THR . 37.3 mt -88.0 117.11 31.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.748 HD11 ' HB2' ' A' ' 34' ' ' ARG . 8.0 mt -90.32 -36.65 14.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.37 159.89 42.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.523 HG21 ' CA ' ' A' ' 91' ' ' LYS . 29.8 p -140.2 134.81 31.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 110.383 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.43 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 10.8 p90 -154.07 176.92 11.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.725 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.7 m -117.42 162.88 17.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.636 HG22 HG23 ' A' ' 30' ' ' VAL . 5.7 m -134.66 159.3 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.1 m -114.8 138.9 50.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.404 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -140.32 99.33 3.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.23 -48.16 3.98 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -174.67 -46.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.53 170.31 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -127.34 99.43 5.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.486 ' O ' HG22 ' A' ' 21' ' ' VAL . 3.4 mp -90.18 126.42 56.99 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.725 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.3 Cg_endo -75.02 145.62 31.58 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.548 1.815 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.636 HG23 HG22 ' A' ' 21' ' ' VAL . 47.5 t -130.65 150.55 34.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.432 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -129.2 117.22 20.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.61 119.94 30.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 14' ' ' SER . 5.2 p -132.37 146.64 52.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 108.288 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.748 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -109.55 116.81 32.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.0 t -55.42 113.81 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -89.42 -33.23 16.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.324 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -151.71 136.08 16.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.53 -153.05 36.45 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -146.42 172.32 13.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 110.338 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 72' ' ' VAL . 71.7 mt -117.11 124.54 49.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.1 122.42 46.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.475 ' HG2' HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -70.87 77.56 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.311 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -178.51 -51.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.653 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -57.11 -172.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.554 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 2.9 mmtp -100.83 163.37 12.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.554 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 7.0 m-85 -143.38 173.65 11.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.677 ' HD2' HD11 ' A' ' 49' ' ' ILE . 17.8 pttt -163.6 149.31 11.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.711 HD23 HG13 ' A' ' 55' ' ' ILE . 28.2 tp -104.1 119.6 39.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.707 ' N ' HD12 ' A' ' 49' ' ' ILE . 2.3 mp -105.86 117.78 52.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 9.4 ttm180 -124.46 111.87 16.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.26 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.471 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 22.6 t30 80.11 -0.83 2.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.46 -14.62 22.72 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.545 1.153 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -99.02 147.55 24.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 0.742 . . . . 0.0 110.272 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 t -86.42 138.19 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.711 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -111.21 -42.2 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.849 ' CG ' HD13 ' A' ' 83' ' ' LEU . 54.5 t90 -128.26 137.71 52.11 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.71 124.94 21.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.499 ' O ' ' CH2' ' A' ' 56' ' ' TRP . . . 151.64 -164.33 30.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -95.49 146.52 24.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.816 HD22 ' HB2' ' A' ' 81' ' ' LEU . 3.8 mt -65.28 171.22 3.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.406 HG21 ' HB2' ' A' ' 84' ' ' ASP . 27.0 p -106.69 -27.73 10.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 m -161.11 151.56 17.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 109.994 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.475 HD22 ' HG2' ' A' ' 42' ' ' ARG . 12.6 tp -147.44 136.81 22.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -144.88 149.65 35.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 42.2 t60 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.615 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.624 ' CG2' HD11 ' A' ' 73' ' ' ILE . 11.0 tt -91.74 170.67 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.4 m -115.58 -43.19 3.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.996 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 4.7 t -114.77 143.49 24.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.624 HD11 ' CG2' ' A' ' 70' ' ' ILE . 31.2 mm -118.22 111.94 36.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -72.03 -176.77 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.9 m -77.13 145.13 37.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.376 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.41 8.13 87.67 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.546 1.154 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -102.31 131.77 48.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.757 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.61 132.15 37.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 21.1 p -145.32 157.66 44.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 108.281 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -123.49 125.58 5.95 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.816 ' HB2' HD22 ' A' ' 60' ' ' LEU . 4.6 pp -114.85 150.8 34.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 0.753 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.3 m -130.93 134.44 46.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.999 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.849 HD13 ' CG ' ' A' ' 56' ' ' TRP . 20.9 mt -89.47 151.19 22.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.406 ' HB2' HG21 ' A' ' 61' ' ' THR . 4.6 t70 -71.54 -30.03 65.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.95 73.31 10.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -38.83 -34.5 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -43.59 -48.54 7.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.82 HG21 ' HB2' ' A' ' 56' ' ' TRP . 87.4 t -59.59 140.89 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -127.72 147.29 50.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.453 ' HB3' HD13 ' A' ' 15' ' ' ILE . 0.9 OUTLIER -106.03 -175.42 2.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.523 ' CA ' HG21 ' A' ' 18' ' ' THR . 3.2 pttt -175.15 159.34 2.21 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 56.03 4.09 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.798 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -175.26 33.6 0.1 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.444 1.09 . . . . 0.0 111.04 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.476 ' OD1' ' CG ' ' A' ' 91' ' ' LYS . 13.0 m-20 -121.2 -171.82 2.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -143.44 148.14 35.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 17.2 t -126.09 98.35 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.545 HD12 ' CG ' ' A' ' 12' ' ' GLU . 11.7 mm -94.99 123.51 47.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.7 t -105.7 95.22 5.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 108.303 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 14.1 p90 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.844 0 N-CA-C 110.971 -0.434 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.6 mt -68.64 -44.31 82.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -170.62 149.12 12.14 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -103.41 152.88 21.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.551 ' HB2' HD21 ' A' ' 40' ' ' LEU . . . -141.06 137.68 33.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.412 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 23.0 m -107.53 147.66 30.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.021 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.634 HD13 ' HB3' ' A' ' 90' ' ' PHE . 57.8 mt -91.93 121.03 42.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.798 HD11 ' HB2' ' A' ' 34' ' ' ARG . 10.0 mt -94.44 -39.1 10.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.02 155.8 44.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.615 HG21 ' CA ' ' A' ' 91' ' ' LYS . 33.9 p -135.49 135.55 40.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.415 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.552 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 13.7 p90 -153.39 -177.39 6.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.711 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.6 m -124.26 162.94 22.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.408 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.659 HG22 HG23 ' A' ' 30' ' ' VAL . 6.0 m -133.63 159.17 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.9 m -114.52 139.41 49.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.376 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.411 ' HG3' HD13 ' A' ' 28' ' ' ILE . 3.1 mm-40 -139.94 99.35 3.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.78 -53.74 4.34 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -164.88 -46.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 0.794 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 168.74 3.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -130.0 107.27 9.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.562 ' H ' HD12 ' A' ' 28' ' ' ILE . 4.0 mp -90.94 129.34 44.5 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.711 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.3 Cg_endo -74.97 132.0 14.96 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.526 1.803 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.659 HG23 HG22 ' A' ' 21' ' ' VAL . 43.7 t -117.75 152.98 19.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.908 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -133.32 116.85 16.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.24 113.52 23.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 14' ' ' SER . 2.4 p -125.76 149.72 48.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 108.297 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.798 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -110.7 124.7 52.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.579 HG22 ' HG ' ' A' ' 40' ' ' LEU . 46.0 t -62.42 111.68 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.539 1.15 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -89.8 -32.42 16.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.8 pttt -148.22 150.19 33.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.9 -138.77 44.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.459 ' OE1' HG13 ' A' ' 72' ' ' VAL . 1.3 pt20 -148.65 173.62 13.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 0.794 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.579 ' HG ' HG22 ' A' ' 35' ' ' VAL . 71.8 mt -117.25 124.59 49.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.574 ' O ' HD22 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -88.98 178.75 6.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.12 -56.74 2.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -73.09 -36.88 66.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.643 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.516 ' CG ' ' CB ' ' A' ' 41' ' ' GLU . 38.4 mmtt -42.09 162.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.568 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -93.36 158.72 15.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.568 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 25.0 m-85 -148.17 177.71 9.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.489 ' HG3' HD11 ' A' ' 49' ' ' ILE . 21.5 pttt -162.46 154.24 18.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.643 HD23 HG13 ' A' ' 55' ' ' ILE . 18.1 tp -104.48 119.17 38.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.751 ' N ' HD12 ' A' ' 49' ' ' ILE . 2.1 mp -106.96 117.13 52.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.432 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 12.0 ttp85 -124.67 113.17 17.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 0.9 OUTLIER 77.19 6.7 3.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.31 -13.45 48.0 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.42 1.075 . . . . 0.0 110.969 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -97.87 150.98 20.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 0.808 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 t -93.06 129.2 43.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.643 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -103.09 -39.96 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.821 ' CE3' HD22 ' A' ' 83' ' ' LEU . 54.2 t90 -128.78 136.61 50.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 108.003 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.91 131.53 31.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 153.29 -143.13 9.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 p -119.48 148.62 43.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 0.784 . . . . 0.0 109.997 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.808 HD22 HD13 ' A' ' 81' ' ' LEU . 12.3 mt -70.44 154.01 42.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.9 p -96.83 -26.57 15.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 110.367 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.3 m -146.16 167.67 22.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.574 HD22 ' O ' ' A' ' 41' ' ' GLU . 8.5 tp -174.75 107.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -126.86 155.1 43.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.49 ' O ' ' CG ' ' A' ' 65' ' ' HIS . 1.2 t60 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.607 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.708 HG21 HD11 ' A' ' 73' ' ' ILE . 6.5 tt -95.8 168.9 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.6 m -116.35 -36.05 4.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.974 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.459 HG13 ' OE1' ' A' ' 39' ' ' GLN . 2.9 t -119.87 135.67 59.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.708 HD11 HG21 ' A' ' 70' ' ' ILE . 14.5 mm -116.65 119.77 62.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -73.44 -177.57 2.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.7 m -78.91 145.85 33.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 75.67 3.35 72.49 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.7 mmm -96.3 130.91 43.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.68 143.56 27.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.449 ' SG ' HD12 ' A' ' 40' ' ' LEU . 23.4 p -159.19 158.24 32.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 108.352 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -123.99 130.09 7.47 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.808 HD13 HD22 ' A' ' 60' ' ' LEU . 4.6 pp -120.05 159.56 24.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.735 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 43.8 p -138.1 147.67 44.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.982 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.821 HD22 ' CE3' ' A' ' 56' ' ' TRP . 9.0 mt -99.42 148.31 24.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -59.11 -20.29 52.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -98.81 134.75 41.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.333 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -91.93 -29.92 16.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.54 -43.66 65.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.53 ' CG1' HD12 ' A' ' 83' ' ' LEU . 12.5 p -67.43 128.79 31.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -124.68 132.07 53.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.908 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 1.3 m-85 -83.03 168.35 17.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.615 ' CA ' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -153.13 157.81 32.92 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.354 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 55.17 3.85 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.77 34.07 0.08 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.442 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 0.1 OUTLIER -119.64 -168.81 1.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 109.295 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -142.72 153.76 43.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.8 t -134.76 99.95 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.62 ' N ' HD12 ' A' ' 97' ' ' ILE . 1.3 mp -87.06 120.12 35.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.439 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 12.2 t -100.55 100.16 10.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 108.306 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.4 p90 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.028 -0.412 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.729 HD12 ' HA ' ' A' ' 99' ' ' TYR . 5.6 mt -70.76 -48.55 56.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -158.83 144.25 10.12 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -108.81 141.79 40.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 110.329 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.4 144.25 51.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 1.3 m -114.75 139.62 49.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.027 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.588 HD13 ' HB3' ' A' ' 90' ' ' PHE . 51.9 mt -86.05 120.48 36.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.592 HD11 ' HB2' ' A' ' 34' ' ' ARG . 13.2 mt -95.68 -35.32 11.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -145.09 160.38 41.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.451 HG22 ' CG2' ' A' ' 15' ' ' ILE . 29.9 p -145.69 136.75 24.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.374 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.505 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 9.1 p90 -153.96 -178.94 7.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.2 m -118.55 163.65 16.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.44 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.663 HG22 ' O ' ' A' ' 28' ' ' ILE . 7.5 m -135.36 158.67 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 2.4 m -122.6 125.47 45.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.345 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.536 ' HG2' HD13 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -151.67 98.97 2.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.89 54.73 3.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? 51.64 26.89 3.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 109.257 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 22' ' ' THR . 15.1 mtpt -114.76 163.25 15.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.47 92.31 3.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.663 ' O ' HG22 ' A' ' 21' ' ' VAL . 3.6 mp -95.69 118.98 65.77 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 117.74 5.03 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 111.005 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.526 HG23 HG22 ' A' ' 21' ' ' VAL . 78.1 t -100.6 157.41 4.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.632 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -138.66 118.33 13.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.07 122.76 35.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 14' ' ' SER . 5.5 p -133.4 156.9 46.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 108.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.592 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -115.21 121.15 42.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.596 HG21 HG22 ' A' ' 73' ' ' ILE . 23.8 t -54.21 117.75 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -95.36 -30.27 14.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt -155.22 143.07 19.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.66 -149.05 51.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.475 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 8.1 pt20 -143.29 175.82 9.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 67.7 mt -117.46 124.4 48.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' HIS . 33.4 mt-10 -107.57 118.1 35.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.448 ' CG ' ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -64.63 75.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.338 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' GLU . 2.0 t60 179.03 -47.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.575 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -53.59 -179.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 46' ' ' PHE . 2.7 tttt -98.35 140.34 32.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.438 ' CD2' HD11 ' A' ' 60' ' ' LEU . 12.0 m-85 -124.41 169.88 11.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -163.61 150.13 11.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.749 HD23 HG13 ' A' ' 55' ' ' ILE . 27.2 tp -104.12 120.34 40.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.744 ' N ' HD12 ' A' ' 49' ' ' ILE . 2.0 mp -107.19 115.79 49.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.472 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 7.7 ttm180 -124.0 112.86 17.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 9.8 t-20 79.88 -0.06 2.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.4 -14.79 25.22 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.544 1.152 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -98.59 148.06 24.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 0.765 . . . . 0.0 110.313 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.522 HG22 HG13 ' A' ' 49' ' ' ILE . 24.3 t -88.96 131.45 36.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.749 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -103.96 -39.71 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.905 ' CG ' HD13 ' A' ' 83' ' ' LEU . 63.8 t90 -131.03 135.03 47.22 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.84 115.0 10.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.456 ' O ' ' CH2' ' A' ' 56' ' ' TRP . . . 165.73 -164.55 37.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.0 m -95.84 152.72 18.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 110.015 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.664 ' CD2' HD13 ' A' ' 81' ' ' LEU . 11.3 mt -75.03 158.25 33.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.357 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 58.0 p -97.53 -25.57 15.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.402 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.77 154.87 26.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.975 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.448 ' HB3' ' CG ' ' A' ' 42' ' ' ARG . 9.9 tp -154.78 126.91 7.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -139.7 152.28 46.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.585 ' CD2' ' O ' ' A' ' 78' ' ' ASP . 43.7 t-80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.593 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.656 HG21 HD11 ' A' ' 73' ' ' ILE . 10.8 tt -94.36 171.15 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.9 t -118.24 -41.47 2.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.6 t -111.55 145.13 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.656 HD11 HG21 ' A' ' 70' ' ' ILE . 15.4 mm -127.56 119.72 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -82.56 179.94 7.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 33.3 m -74.87 147.14 41.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.98 -2.11 76.52 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.115 . . . . 0.0 110.967 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 84.6 mtp -100.22 127.93 46.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.585 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 5.6 m-20 -84.79 146.1 27.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.411 ' SG ' HG21 ' A' ' 73' ' ' ILE . 10.1 p -155.24 154.79 32.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 108.291 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -121.68 133.78 9.63 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.531 1.145 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.664 HD13 ' CD2' ' A' ' 60' ' ' LEU . 4.2 pp -126.0 148.24 49.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.776 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.436 ' OG ' HG22 ' A' ' 30' ' ' VAL . 3.7 m -129.02 135.34 48.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.905 HD13 ' CG ' ' A' ' 56' ' ' TRP . 24.6 mt -87.37 153.25 21.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.07 -28.2 64.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.44 85.09 5.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -49.0 -24.67 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.01 -45.58 64.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.716 HG11 ' HB2' ' A' ' 56' ' ' TRP . 61.9 t -67.43 126.83 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -118.12 130.58 56.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.27 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.632 ' CD2' ' HB2' ' A' ' 31' ' ' ALA . 2.4 m-85 -79.56 -164.5 0.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.44 ' N ' HG21 ' A' ' 18' ' ' THR . 0.8 OUTLIER 178.24 154.19 0.5 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 54.88 3.79 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.36 33.86 0.09 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -120.68 -170.81 2.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 0.77 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -142.74 150.31 39.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.4 t -130.35 98.3 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.562 ' N ' HD12 ' A' ' 97' ' ' ILE . 1.5 mp -88.84 117.75 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 8.5 t -97.81 101.94 13.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.251 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.729 ' HA ' HD12 ' A' ' 10' ' ' ILE . 3.0 p90 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.912 0 N-CA-C 110.956 -0.44 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 99' ' ' TYR . 5.9 mt -72.3 -45.31 61.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -168.46 140.53 6.24 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.493 1.121 . . . . 0.0 111.056 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -100.66 147.52 25.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 110.255 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -133.07 144.84 50.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -115.57 134.93 54.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.955 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.529 HD13 ' HB3' ' A' ' 90' ' ' PHE . 54.7 mt -82.64 125.12 39.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.5 mt -102.02 -36.67 8.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.78 148.76 41.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.748 HG21 ' CA ' ' A' ' 91' ' ' LYS . 69.4 p -133.85 134.55 42.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.396 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.456 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 10.3 p90 -155.08 177.55 11.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.958 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.583 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.7 m -119.03 162.88 17.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.597 HG22 HG23 ' A' ' 30' ' ' VAL . 6.9 m -134.91 157.91 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 55.8 m -114.74 141.52 47.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -143.91 99.34 3.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 110.318 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.37 -49.13 4.09 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -170.23 -54.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.76 170.47 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -128.78 108.44 10.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.568 ' O ' HG22 ' A' ' 21' ' ' VAL . 4.2 mp -89.62 126.35 58.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.583 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.2 Cg_endo -75.03 128.75 11.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.597 HG23 HG22 ' A' ' 21' ' ' VAL . 50.6 t -116.52 150.51 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.808 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -132.69 126.11 31.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.89 121.22 41.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 14' ' ' SER . 12.5 p -135.63 152.6 51.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 108.283 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -108.9 118.66 37.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.449 HG21 HG22 ' A' ' 73' ' ' ILE . 77.2 t -53.06 110.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.37 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -83.19 -39.79 20.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.7 pttp -147.2 142.24 27.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.98 -151.18 42.09 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.633 ' OE1' HG13 ' A' ' 72' ' ' VAL . 2.0 pt20 -140.96 175.97 9.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 0.0 110.299 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 63.8 mt -117.31 125.04 50.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -110.5 127.71 55.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.304 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.98 67.88 1.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -178.68 -49.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.544 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -49.23 176.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.509 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 1.3 mttt -93.7 150.58 20.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 98' ' ' CYS . 11.1 m-85 -142.26 170.83 14.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.555 ' HE3' ' CE1' ' A' ' 99' ' ' TYR . 4.8 ptpt -161.75 152.93 18.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.619 ' C ' HD12 ' A' ' 49' ' ' ILE . 32.1 tp -104.27 120.67 41.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.764 ' N ' HD12 ' A' ' 49' ' ' ILE . 2.1 mp -108.61 114.88 47.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.57 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 8.8 ttm180 -123.69 111.13 15.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.57 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 13.0 t-20 88.47 -24.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 136.42 -13.62 4.0 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -101.65 149.24 24.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 0.742 . . . . 0.0 110.309 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.467 HG21 ' HD3' ' A' ' 47' ' ' LYS . 5.8 t -87.33 133.32 30.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.43 HD13 ' N ' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -108.33 -42.01 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.929 ' CE3' HD22 ' A' ' 83' ' ' LEU . 82.0 t90 -124.59 135.8 53.43 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.06 118.83 14.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 159.16 -167.95 35.05 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 m -91.79 152.41 20.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 0.798 . . . . 0.0 109.991 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.583 HD22 ' HB2' ' A' ' 81' ' ' LEU . 4.8 mt -73.16 164.85 26.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.469 HG22 ' OD1' ' A' ' 84' ' ' ASP . 3.1 p -103.35 -29.11 11.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 110.389 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 m -154.85 157.72 38.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.1 tp -160.35 115.23 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -124.99 164.89 19.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.431 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 6.4 t60 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.612 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.62 HG21 HD11 ' A' ' 73' ' ' ILE . 6.7 tt -95.28 170.98 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.8 m -115.23 -40.83 3.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.633 HG13 ' OE1' ' A' ' 39' ' ' GLN . 20.9 t -110.66 147.57 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.62 HD11 HG21 ' A' ' 70' ' ' ILE . 17.0 mm -131.93 110.52 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -63.28 -172.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.2 m -81.15 160.82 24.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.414 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 56.37 19.47 25.76 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.0 mmm -103.66 138.15 40.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 0.774 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.88 132.48 39.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.419 ' SG ' HG21 ' A' ' 73' ' ' ILE . 22.0 p -153.05 160.75 42.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 108.345 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -117.16 136.23 12.49 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.583 ' HB2' HD22 ' A' ' 60' ' ' LEU . 4.1 pp -131.49 161.79 31.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 40.9 t -143.56 153.17 42.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.929 HD22 ' CE3' ' A' ' 56' ' ' TRP . 9.6 mt -102.77 143.66 32.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.469 ' OD1' HG22 ' A' ' 61' ' ' THR . 6.4 m-20 -49.27 -29.38 5.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -90.19 134.2 34.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.413 ' OE1' ' N ' ' A' ' 86' ' ' GLU . 6.8 pm0 -91.07 -31.35 16.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -45.39 62.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.428 HG21 ' HB2' ' A' ' 56' ' ' TRP . 8.0 p -64.36 125.54 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -121.4 130.11 53.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.808 ' CD2' ' HB2' ' A' ' 31' ' ' ALA . 2.2 m-85 -79.78 -172.61 3.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.998 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.748 ' CA ' HG21 ' A' ' 18' ' ' THR . 2.0 pttt -174.73 158.09 2.32 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 57.18 4.51 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.526 1.803 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.75 34.14 0.08 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.503 ' OD1' ' CG ' ' A' ' 91' ' ' LYS . 12.4 m-20 -125.15 -173.59 2.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -140.83 152.49 45.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.344 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.9 t -131.58 98.35 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.562 ' N ' HD12 ' A' ' 97' ' ' ILE . 1.5 mp -88.19 117.9 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.571 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 13.9 t -97.27 97.9 9.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 108.289 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.555 ' CE1' ' HE3' ' A' ' 47' ' ' LYS . 3.5 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.934 0 N-CA-C 110.973 -0.434 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.67 HG21 ' OE2' ' A' ' 41' ' ' GLU . 7.1 mt -73.1 -41.54 59.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 179.56 139.89 3.88 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.441 ' HG3' HD13 ' A' ' 97' ' ' ILE . 1.6 tt0 -100.65 129.27 46.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.76 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.58 147.36 36.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.64 135.42 54.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.065 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.492 HD13 ' HB3' ' A' ' 90' ' ' PHE . 44.9 mt -80.05 120.0 30.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.519 HD11 ' HB2' ' A' ' 34' ' ' ARG . 31.0 mt -93.2 -38.98 11.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.01 155.24 43.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.477 HG22 HG21 ' A' ' 15' ' ' ILE . 30.9 p -135.84 135.59 39.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.364 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.572 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 12.0 p90 -154.84 -177.15 6.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.704 HG23 ' HA ' ' A' ' 29' ' ' PRO . 3.2 m -123.92 162.5 23.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.362 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' ' 28' ' ' ILE . 6.6 m -131.99 156.21 42.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.1 m -111.05 131.85 54.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.418 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 28' ' ' ILE . 6.5 mm-40 -143.26 98.3 3.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.321 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.455 ' O ' ' HB2' ' A' ' 25' ' ' LYS . . . 64.49 61.71 5.72 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 24' ' ' GLY . 7.0 mttm 75.51 -55.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 0.794 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.56 160.83 1.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 pttt -132.62 107.28 8.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.612 ' O ' HG22 ' A' ' 21' ' ' VAL . 4.2 mp -95.11 131.11 30.76 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.704 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.4 Cg_endo -75.0 146.41 32.6 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.525 1.802 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.572 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 24.1 t -131.11 153.46 39.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.57 115.31 13.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.11 112.42 21.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.6 p -123.79 148.38 46.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 108.297 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.519 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -112.34 122.29 47.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.496 HG22 ' HG ' ' A' ' 40' ' ' LEU . 73.8 t -60.23 113.74 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -89.51 -43.55 10.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.62 135.59 38.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.83 -142.76 30.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.462 ' OE1' HG13 ' A' ' 72' ' ' VAL . 3.1 pt20 -150.13 176.84 10.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.496 ' HG ' HG22 ' A' ' 35' ' ' VAL . 72.3 mt -117.28 124.81 49.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.67 ' OE2' HG21 ' A' ' 10' ' ' ILE . 30.1 mt-10 -115.8 121.51 42.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.439 ' CD ' ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -56.43 160.99 2.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.277 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.436 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 0.8 OUTLIER 83.7 -51.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.603 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -43.57 165.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.447 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -88.94 142.03 27.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 98' ' ' CYS . 7.8 m-85 -137.25 172.77 12.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.938 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.71 ' HD2' HD11 ' A' ' 49' ' ' ILE . 0.6 OUTLIER -160.52 152.08 19.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.684 HD23 HG13 ' A' ' 55' ' ' ILE . 26.8 tp -104.4 116.69 32.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.71 HD11 ' HD2' ' A' ' 47' ' ' LYS . 2.4 mp -105.55 115.28 47.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.492 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 10.4 ttm180 -124.28 112.83 17.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 7.8 t-20 81.56 -0.49 1.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.85 -13.71 29.38 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.455 1.097 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -99.0 147.98 24.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.784 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 t -87.16 138.48 18.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.684 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -113.47 -41.94 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.355 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.957 ' CG ' HD13 ' A' ' 83' ' ' LEU . 57.8 t90 -129.63 136.03 49.26 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.17 118.5 14.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.512 ' O ' ' CH2' ' A' ' 56' ' ' TRP . . . 160.98 -166.89 35.79 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 p -94.0 152.49 18.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 110.023 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.629 HD22 HD13 ' A' ' 81' ' ' LEU . 6.5 mt -78.23 147.24 34.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.425 ' C ' ' HG ' ' A' ' 62' ' ' SER . 10.8 p -82.12 -23.09 35.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.438 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.425 ' HG ' ' C ' ' A' ' 61' ' ' THR . 2.2 m -165.03 154.83 13.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.439 ' HB3' ' CD ' ' A' ' 42' ' ' ARG . 2.3 tp -158.76 120.99 3.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -123.81 165.91 16.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.436 ' C ' ' ND1' ' A' ' 65' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.599 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.8 tt -96.18 139.04 19.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.697 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.8 OUTLIER -103.14 27.94 6.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 71' ' ' SER . 12.6 t -159.81 143.87 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.432 HG21 ' SG ' ' A' ' 79' ' ' CYS . 20.8 mm -141.28 103.1 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.2 mttt -65.51 179.85 0.74 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 73.7 m -74.96 139.28 42.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.467 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.41 ' HA2' ' NE ' ' A' ' 34' ' ' ARG . . . 87.85 -10.23 71.09 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.9 mmm -86.54 126.66 34.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 0.771 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -83.95 143.11 30.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.432 ' SG ' HG21 ' A' ' 73' ' ' ILE . 25.5 p -156.27 159.39 38.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 108.324 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -126.77 145.14 15.56 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.629 HD13 HD22 ' A' ' 60' ' ' LEU . 4.4 pp -134.45 158.0 45.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.3 p -141.25 139.55 33.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.012 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.957 HD13 ' CG ' ' A' ' 56' ' ' TRP . 6.2 mt -96.67 155.98 16.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -70.66 -25.59 63.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -92.48 81.0 4.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.9 pm0 -48.78 -23.45 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.95 -46.32 68.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.791 HG21 ' HB2' ' A' ' 56' ' ' TRP . 89.5 t -62.35 128.7 24.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -114.77 149.15 37.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.275 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.492 ' HB3' HD13 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -109.72 168.01 9.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.423 ' CA ' HG21 ' A' ' 18' ' ' THR . 0.1 OUTLIER -153.03 157.89 32.95 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 54.86 3.76 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.783 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.91 33.9 0.08 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -116.6 -172.4 2.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 0.784 . . . . 0.0 109.267 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' ILE . 15.7 mt-30 -138.6 146.76 42.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.7 t -127.17 98.26 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.441 HD13 ' HG3' ' A' ' 12' ' ' GLU . 4.7 mm -87.2 132.07 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.571 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 14.4 t -119.15 104.41 10.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 108.32 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 9.9 p90 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 111.021 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.861 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.802 HD12 ' HA ' ' A' ' 99' ' ' TYR . 1.6 mp -69.06 -35.54 69.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -176.88 150.95 10.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.538 1.149 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -118.94 150.13 40.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -140.05 130.55 25.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.7 m -98.63 146.95 25.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.553 HD13 ' HB3' ' A' ' 90' ' ' PHE . 58.4 mt -90.46 122.6 42.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.702 HD11 ' HB2' ' A' ' 34' ' ' ARG . 9.2 mt -97.32 -39.2 9.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.2 153.33 45.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.657 HG21 ' CA ' ' A' ' 91' ' ' LYS . 51.6 p -136.21 135.75 39.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.452 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.554 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 12.4 p90 -156.39 -177.59 6.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.78 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.7 m -124.2 162.81 22.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.651 HG22 HG23 ' A' ' 30' ' ' VAL . 6.0 m -132.88 159.1 43.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.2 m -111.37 133.99 53.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 110.378 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.418 ' HB2' HD13 ' A' ' 28' ' ' ILE . 2.8 mt-10 -144.3 99.12 3.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.469 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . 63.17 48.58 78.53 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.433 1.083 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER 85.69 -50.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 0.761 . . . . 0.0 109.244 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 163.09 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.8 mtmm -132.11 102.79 5.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.784 ' N ' HD12 ' A' ' 28' ' ' ILE . 2.6 mp -94.94 123.17 58.4 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.78 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.4 Cg_endo -74.95 130.17 13.08 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.651 HG23 HG22 ' A' ' 21' ' ' VAL . 52.9 t -113.66 157.64 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.781 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -137.68 115.7 11.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.9 115.5 23.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.2 p -128.1 144.74 51.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 108.295 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.702 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -107.18 119.74 40.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.536 HG21 HG22 ' A' ' 73' ' ' ILE . 96.2 t -56.87 123.86 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -103.84 -35.14 8.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.09 145.39 30.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.94 -145.81 45.51 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -147.38 175.97 10.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 0.764 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.2 mt -117.53 124.87 49.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -112.66 137.8 50.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.42 70.44 8.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.268 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -179.55 -49.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.616 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.408 ' HD2' HD13 ' A' ' 10' ' ' ILE . 20.9 mmtm -50.18 178.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.583 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -96.57 158.79 15.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.244 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.583 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 21.2 m-85 -148.28 169.72 19.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 111.048 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.476 ' HD2' HD11 ' A' ' 49' ' ' ILE . 12.1 pttt -162.62 150.18 13.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.723 HD23 HG13 ' A' ' 55' ' ' ILE . 28.4 tp -104.33 119.43 38.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.761 ' N ' HD12 ' A' ' 49' ' ' ILE . 1.8 mp -107.37 113.64 44.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.452 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 3.7 ttm180 -121.28 114.07 20.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 29.1 t30 77.99 1.14 2.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.07 -14.9 28.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.13 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -96.75 149.26 22.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.784 . . . . 0.0 110.321 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 t -91.01 131.32 38.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.723 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -105.6 -41.74 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 109.263 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.775 ' CG ' HD13 ' A' ' 83' ' ' LEU . 71.4 t90 -130.01 135.23 48.05 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -137.75 115.13 11.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.3 -163.09 36.32 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 m -95.92 147.49 23.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 0.793 . . . . 0.0 110.005 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.61 HD22 HD13 ' A' ' 81' ' ' LEU . 22.2 mt -69.15 114.44 7.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.56 -13.72 23.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.412 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 m -167.14 153.65 8.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.024 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.1 tp -155.65 126.64 7.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -138.57 147.81 43.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' A' ' 78' ' ' ASP . 64.0 t60 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.579 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.808 HG21 HD11 ' A' ' 73' ' ' ILE . 7.5 tt -90.36 170.52 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 60.2 p -115.76 -35.58 4.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.7 t -132.12 140.21 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.346 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.808 HD11 HG21 ' A' ' 70' ' ' ILE . 20.3 mm -116.91 127.5 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -85.08 179.41 7.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 59.2 m -76.7 152.53 35.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.396 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 73.59 8.65 76.96 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.471 1.107 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.3 mmm -105.18 133.19 50.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.453 ' O ' ' ND1' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -92.95 124.44 36.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 26.3 p -137.1 160.34 39.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 108.319 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -121.15 126.18 6.47 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.61 HD13 HD22 ' A' ' 60' ' ' LEU . 4.4 pp -118.18 135.86 53.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 0.791 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.0 p -116.4 140.19 49.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.775 HD13 ' CG ' ' A' ' 56' ' ' TRP . 33.2 mt -93.04 147.65 22.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -64.35 -26.77 68.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 87' ' ' LYS . 0.5 OUTLIER -95.54 76.11 3.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -41.23 -28.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 85' ' ' GLU . 20.1 mttt -47.83 -47.83 31.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.731 HG11 ' HB2' ' A' ' 56' ' ' TRP . 61.2 t -65.44 125.42 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -115.89 136.61 52.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.781 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 1.1 m-85 -87.7 -172.47 3.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.062 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.657 ' CA ' HG21 ' A' ' 18' ' ' THR . 0.2 OUTLIER -172.84 155.56 3.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 55.82 4.1 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -175.56 33.85 0.09 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -122.49 -168.69 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -144.24 155.78 44.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 28.0 t -134.47 98.5 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.587 ' N ' HD12 ' A' ' 97' ' ' ILE . 1.2 mp -87.12 115.23 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 7.4 t -96.77 101.97 13.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 108.32 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.802 ' HA ' HD12 ' A' ' 10' ' ' ILE . 2.8 p90 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 111.03 -0.412 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.3 mt -73.66 -43.58 54.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.47 142.02 5.28 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -101.77 140.51 35.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.758 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.25 133.22 43.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 33' ' ' CYS . 67.7 m -99.59 154.74 18.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.548 HD13 ' HB3' ' A' ' 90' ' ' PHE . 73.5 mt -96.66 127.4 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.646 HD11 ' HB2' ' A' ' 34' ' ' ARG . 17.6 mt -101.51 -37.4 8.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -145.5 153.69 41.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.58 HG21 ' CA ' ' A' ' 91' ' ' LYS . 30.4 p -135.14 135.56 41.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.428 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.571 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 9.8 p90 -154.16 -177.31 6.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.67 HG23 ' HA ' ' A' ' 29' ' ' PRO . 2.1 m -123.16 162.64 22.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.619 HG22 ' O ' ' A' ' 28' ' ' ILE . 6.2 m -131.53 156.83 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.3 m -108.56 132.43 53.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.358 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 28' ' ' ILE . 1.6 mt-10 -143.67 98.92 3.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . 62.57 51.37 56.57 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.2 OUTLIER 84.97 -52.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.33 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.46 161.24 0.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -131.99 99.01 4.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.619 ' O ' HG22 ' A' ' 21' ' ' VAL . 5.0 mp -89.83 128.48 50.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.67 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.3 Cg_endo -75.02 139.28 24.03 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.473 1.775 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.571 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 38.8 t -125.14 145.33 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.653 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -122.76 120.38 33.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -90.55 114.94 27.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 14' ' ' SER . 1.9 p -127.2 146.97 50.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 108.305 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.646 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -108.23 120.94 43.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.449 HG21 HG22 ' A' ' 73' ' ' ILE . 25.0 t -58.54 131.29 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -113.96 -37.55 4.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -145.57 130.82 18.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.29 -145.01 19.49 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -150.19 166.85 28.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 110.301 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.68 HD22 ' SG ' ' A' ' 98' ' ' CYS . 53.1 mt -117.23 124.66 49.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.473 ' HB2' ' CG ' ' A' ' 44' ' ' LYS . 6.3 mt-10 -108.93 179.01 4.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.69 -31.92 9.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.04 47.65 1.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.56 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.473 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 21.1 mmtm -136.93 168.19 20.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.55 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 11.0 mptt -95.3 153.83 17.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.557 ' CD2' ' SG ' ' A' ' 98' ' ' CYS . 19.8 m-85 -146.28 173.99 11.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.66 153.38 17.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.664 ' C ' HD12 ' A' ' 49' ' ' ILE . 40.8 tp -104.35 120.93 42.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.748 ' N ' HD12 ' A' ' 49' ' ' ILE . 2.1 mp -111.07 116.53 52.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.506 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 30.6 ttm180 -122.78 110.97 16.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 8.6 t-20 82.36 -6.69 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.358 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.43 -15.12 10.76 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -96.42 148.14 23.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 110.335 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.446 HG22 HG13 ' A' ' 49' ' ' ILE . 8.4 t -89.55 136.15 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.583 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -110.47 -43.48 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.846 ' CG ' HD13 ' A' ' 83' ' ' LEU . 46.6 t90 -127.13 135.66 51.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 108.05 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.94 113.74 9.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 176.39 -142.98 6.21 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.102 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 p -120.58 155.06 34.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.74 . . . . 0.0 109.967 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.451 HD13 ' HB2' ' A' ' 81' ' ' LEU . 27.7 mt -77.88 136.21 38.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 13.4 p -77.47 -16.65 58.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.408 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.5 m -168.9 153.62 5.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.989 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 tp -152.85 116.01 4.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.085 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -129.55 157.07 43.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.688 ' HB2' HD11 ' A' ' 73' ' ' ILE . 4.3 t60 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.61 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 1.038 HG21 HD11 ' A' ' 73' ' ' ILE . 0.6 OUTLIER -100.55 146.49 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 61.8 p -101.79 -26.72 13.37 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.468 1.105 . . . . 0.0 110.026 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.6 t -139.93 134.2 36.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 1.038 HD11 HG21 ' A' ' 70' ' ' ILE . 12.7 mm -114.55 128.07 71.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -83.42 175.55 9.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.359 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.9 m -73.3 142.19 47.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 110.363 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.78 -4.68 85.5 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.2 mmm -96.1 131.06 42.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -83.48 145.8 28.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.41 ' SG ' HD12 ' A' ' 40' ' ' LEU . 23.0 p -161.56 158.3 26.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 108.313 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -119.92 134.93 10.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.512 ' O ' HD12 ' A' ' 81' ' ' LEU . 4.2 pp -126.1 148.1 49.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.9 p -129.11 141.3 51.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.984 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.846 HD13 ' CG ' ' A' ' 56' ' ' TRP . 39.1 mt -87.98 167.76 13.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -92.79 25.95 2.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -150.6 91.55 1.75 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.266 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -52.78 -21.53 4.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -55.23 -42.94 74.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.836 HG21 ' HB2' ' A' ' 56' ' ' TRP . 48.9 t -72.08 133.22 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -121.94 135.78 54.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.653 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 1.5 m-85 -90.92 -174.8 4.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.58 ' CA ' HG21 ' A' ' 18' ' ' THR . 0.3 OUTLIER -172.12 158.74 4.27 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 95.27 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.504 1.792 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 146.67 -17.13 1.62 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -66.78 -179.27 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.751 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -132.3 158.28 42.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.406 HG12 ' SG ' ' A' ' 98' ' ' CYS . 15.4 t -134.58 99.22 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 9.8 mm -87.65 112.74 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.68 ' SG ' HD22 ' A' ' 40' ' ' LEU . 4.0 m -102.52 94.39 5.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 108.335 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.9 p90 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 110.991 -0.427 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.1 mt -78.49 -46.7 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -168.73 139.37 5.62 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.12 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -105.57 124.83 50.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.749 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.05 131.62 54.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 m -96.62 142.14 29.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.041 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.576 HD13 ' HB3' ' A' ' 90' ' ' PHE . 52.9 mt -84.16 120.15 34.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.7 HD11 ' HB2' ' A' ' 34' ' ' ARG . 9.6 mt -92.4 -41.23 10.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.12 159.55 41.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.587 HG21 ' CA ' ' A' ' 91' ' ' LYS . 17.5 p -141.12 142.68 34.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.381 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.554 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 10.0 p90 -162.28 179.77 7.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.688 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.5 m -121.13 162.1 20.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.38 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 28' ' ' ILE . 5.8 m -131.11 159.04 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.3 m -112.92 132.51 55.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 110.437 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -139.29 99.34 3.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . 58.78 47.37 90.72 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.597 1.186 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER 89.35 -43.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.278 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.88 160.06 2.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -132.36 101.22 5.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.81 ' N ' HD12 ' A' ' 28' ' ' ILE . 2.2 mp -96.54 124.66 50.04 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.688 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.2 Cg_endo -75.06 128.76 11.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.58 HG23 HG22 ' A' ' 21' ' ' VAL . 47.9 t -113.49 157.01 14.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.777 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -139.47 119.84 13.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.33 118.32 30.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 p -131.04 139.95 50.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 108.304 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.7 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -104.3 122.2 44.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.283 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.673 HG21 HG22 ' A' ' 73' ' ' ILE . 57.6 t -51.7 126.87 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -99.39 -38.23 8.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.23 148.96 33.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.76 -135.35 49.34 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.449 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 7.8 pt20 -155.81 175.59 13.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.751 . . . . 0.0 110.355 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.2 mt -117.18 124.7 49.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -104.87 118.34 36.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 110.244 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.52 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 0.8 OUTLIER -59.55 153.48 19.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.52 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 12.3 t60 88.75 -42.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.609 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -52.12 -176.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.358 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.493 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 4.5 mttt -99.5 151.03 21.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.087 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.493 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 15.0 m-85 -142.34 174.72 10.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.527 ' HD2' HD11 ' A' ' 49' ' ' ILE . 15.4 pttt -163.56 148.31 10.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.879 HD23 HG13 ' A' ' 55' ' ' ILE . 19.5 tp -104.34 119.69 39.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.733 ' N ' HD12 ' A' ' 49' ' ' ILE . 1.6 mp -108.09 118.32 55.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.431 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 19.6 ttp85 -123.36 113.18 18.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.431 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 4.1 t-20 77.39 1.35 3.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.06 -14.59 26.14 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.533 1.146 . . . . 0.0 110.97 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -96.63 150.27 20.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 0.792 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 t -91.16 132.78 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.879 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -106.5 -42.75 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.765 ' HB2' HG21 ' A' ' 88' ' ' VAL . 48.3 t90 -130.4 138.44 50.35 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.83 125.13 21.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.487 ' O ' ' CH2' ' A' ' 56' ' ' TRP . . . 154.06 -167.16 32.22 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 p -94.01 157.38 16.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.544 ' CD2' HD13 ' A' ' 81' ' ' LEU . 15.3 mt -79.72 163.09 24.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 65.5 p -101.66 -19.3 15.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.436 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.5 m -164.15 160.76 21.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.995 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.471 ' HB3' ' CG ' ' A' ' 42' ' ' ARG . 11.5 tp -158.62 124.7 4.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.354 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -133.42 133.94 42.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.612 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.527 ' CG2' HD11 ' A' ' 73' ' ' ILE . 15.5 tt -87.55 166.18 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 92.8 p -115.95 -34.77 4.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.019 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.466 ' O ' HD13 ' A' ' 73' ' ' ILE . 19.5 t -108.75 145.62 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.673 HG22 HG21 ' A' ' 35' ' ' VAL . 48.0 mm -129.3 109.89 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -69.47 -176.25 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.2 m -79.01 145.18 34.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.365 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.11 -0.13 74.57 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.7 mmm -93.75 128.75 40.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 0.762 . . . . 0.0 111.041 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -84.17 146.24 27.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 24.5 p -160.07 158.49 30.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 108.258 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -127.59 135.57 8.8 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.544 HD13 ' CD2' ' A' ' 60' ' ' LEU . 3.8 pp -126.04 162.68 24.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.785 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.481 ' OG ' HG22 ' A' ' 30' ' ' VAL . 12.6 m -143.74 138.82 29.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.741 HD13 ' CG ' ' A' ' 56' ' ' TRP . 10.0 mt -92.19 147.83 22.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -18.57 64.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 87' ' ' LYS . 3.6 tp10 -100.37 79.6 2.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -43.57 -27.52 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 85' ' ' GLU . 5.0 mttp -48.99 -47.58 44.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.765 HG21 ' HB2' ' A' ' 56' ' ' TRP . 61.1 t -67.93 124.51 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -115.87 137.42 52.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.777 ' CD2' ' HB2' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -88.72 179.63 6.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 111.017 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.587 ' CA ' HG21 ' A' ' 18' ' ' THR . 6.0 mttt -165.28 157.05 13.04 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 55.34 3.91 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -177.65 34.32 0.08 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.447 1.092 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.435 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 0.5 OUTLIER -118.95 -168.65 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 109.315 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -144.55 152.84 41.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 22.2 t -130.05 103.55 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.47 ' HB ' ' CE ' ' A' ' 47' ' ' LYS . 18.5 mm -90.75 124.71 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 17.4 t -114.76 101.18 8.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 108.301 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 24.1 p90 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 111.022 179.942 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.463 ' HB3' ' CG2' ' A' ' 97' ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.908 0 N-CA-C 111.009 -0.42 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.1 mt -83.03 -42.85 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.33 145.38 11.09 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.466 1.104 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.554 ' HG2' HD12 ' A' ' 97' ' ' ILE . 3.4 mp0 -113.27 121.83 45.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 110.309 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.96 131.01 57.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.72 140.96 34.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.004 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.62 HD13 ' HB3' ' A' ' 90' ' ' PHE . 60.6 mt -85.31 117.2 29.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.678 HD11 ' HB2' ' A' ' 34' ' ' ARG . 13.2 mt -90.51 -38.85 12.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.33 160.23 42.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.504 HG22 ' CG2' ' A' ' 15' ' ' ILE . 13.8 p -141.36 138.68 33.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 30' ' ' VAL . 8.3 p90 -153.79 -177.26 6.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.133 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.518 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.9 m -118.42 163.44 16.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.37 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.579 HG22 ' O ' ' A' ' 28' ' ' ILE . 6.7 m -135.7 158.52 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.9 m -116.03 143.14 45.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.406 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -149.81 99.45 2.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.92 -44.2 3.32 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.2 mttt 175.31 -43.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.99 175.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.12 97.72 4.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.579 ' O ' HG22 ' A' ' 21' ' ' VAL . 4.4 mp -89.74 124.02 64.96 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.518 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.5 Cg_endo -74.95 146.94 33.46 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.512 1.796 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.525 HG23 HG22 ' A' ' 21' ' ' VAL . 53.8 t -137.43 154.74 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.727 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -134.2 120.27 19.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.41 116.83 24.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 p -127.68 145.25 50.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 108.313 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.678 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -108.66 122.68 47.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.475 HG21 HG22 ' A' ' 73' ' ' ILE . 85.4 t -62.12 112.12 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -88.8 -45.17 9.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -139.47 136.39 34.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.433 ' O ' ' CG1' ' A' ' 35' ' ' VAL . . . 76.47 -164.04 53.16 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.448 1.093 . . . . 0.0 111.026 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -132.76 172.27 12.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 0.793 . . . . 0.0 110.262 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 72' ' ' VAL . 77.0 mt -117.05 124.5 49.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -105.84 122.97 47.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -71.56 83.2 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 172.18 -47.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.582 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -56.47 -173.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.581 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 2.7 mmtp -99.23 162.29 13.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.581 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 14.6 m-85 -146.8 169.02 19.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.441 ' HE2' ' CE1' ' A' ' 99' ' ' TYR . 1.4 pttt -157.04 145.73 19.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.509 HD22 ' CD2' ' A' ' 90' ' ' PHE . 41.5 tp -104.23 112.45 25.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.657 ' N ' HD12 ' A' ' 49' ' ' ILE . 2.7 mp -101.51 119.41 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 2.1 ttm180 -126.1 112.73 16.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER 80.56 -1.84 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.13 -12.9 24.08 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -100.27 148.05 25.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 0.78 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.7 t -87.04 135.05 26.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.495 ' CD1' ' O ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -110.54 -42.15 4.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.974 ' CG ' HD13 ' A' ' 83' ' ' LEU . 63.0 t90 -129.14 134.99 48.28 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.1 ttpp -137.07 117.16 13.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 163.85 -164.47 36.44 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -91.17 147.53 22.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.99 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.711 HD11 HD22 ' A' ' 81' ' ' LEU . 32.6 mt -64.68 123.14 18.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.3 m -65.13 -20.78 66.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.425 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.3 m -167.16 169.94 12.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.8 tp -163.89 125.12 2.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -140.19 141.31 35.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.499 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 10.3 t60 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.627 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.779 HG21 HD11 ' A' ' 73' ' ' ILE . 8.7 tt -90.87 170.4 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.1 m -116.07 -34.87 4.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.989 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 3.4 t -128.37 140.57 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.779 HD11 HG21 ' A' ' 70' ' ' ILE . 23.9 mm -115.86 120.23 64.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -80.48 176.31 9.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.5 m -74.35 145.67 43.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.429 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.68 -12.33 56.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 97.9 mtp -88.26 129.32 35.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.52 130.15 37.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 29.8 p -139.27 164.72 29.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.332 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -125.49 125.55 5.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.12 . . . . 0.0 110.995 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.711 HD22 HD11 ' A' ' 60' ' ' LEU . 4.5 pp -114.37 142.33 46.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 18.1 p -125.7 142.0 51.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.979 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.974 HD13 ' CG ' ' A' ' 56' ' ' TRP . 19.3 mt -98.72 149.9 22.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -65.02 -19.61 66.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -100.64 87.1 3.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.68 -23.1 4.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.0 mttp -53.12 -47.36 68.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 0.0 109.284 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.741 HG21 ' HB2' ' A' ' 56' ' ' TRP . 57.9 t -65.36 123.09 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -110.69 144.35 39.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.278 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.727 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -104.7 143.09 33.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.948 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.416 ' HG3' ' NH2' ' A' ' 50' ' ' ARG . 3.1 mmtm -126.16 159.5 62.01 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 89.31 1.17 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.433 1.754 . . . . 0.0 110.977 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 155.0 -22.44 0.59 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.408 ' HB2' HD12 ' A' ' 15' ' ' ILE . 2.4 m-20 -56.16 -170.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -144.66 149.47 35.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 27.6 t -129.33 102.57 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.554 HD12 ' HG2' ' A' ' 12' ' ' GLU . 20.7 mm -99.8 119.56 48.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 11.5 t -101.27 99.75 10.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 108.287 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.441 ' CE1' ' HE2' ' A' ' 47' ' ' LYS . 19.1 p90 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 111.004 -0.422 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.434 ' CD1' ' HE3' ' A' ' 44' ' ' LYS . 17.8 mt -81.92 -34.88 12.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 175.93 146.09 5.79 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.459 ' HG2' HD12 ' A' ' 97' ' ' ILE . 1.5 mp0 -115.53 136.34 53.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.37 147.95 45.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.55 134.0 55.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.082 . . . . 0.0 109.967 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.604 HD13 ' HB3' ' A' ' 90' ' ' PHE . 57.1 mt -83.34 120.6 34.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 mt -95.14 -38.82 10.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -143.2 158.97 43.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.506 HG22 ' CG2' ' A' ' 15' ' ' ILE . 19.8 p -142.48 137.85 30.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.388 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.544 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 8.7 p90 -152.24 -179.18 7.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.43 HG23 ' HA ' ' A' ' 29' ' ' PRO . 2.8 m -119.82 164.27 16.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 110.397 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.595 HG22 ' O ' ' A' ' 28' ' ' ILE . 6.6 m -136.65 157.83 36.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 4.1 m -121.86 127.15 50.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.397 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.527 ' CG ' ' CD1' ' A' ' 28' ' ' ILE . 0.3 OUTLIER -152.01 99.4 2.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.31 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.04 55.26 3.58 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt 52.15 22.64 1.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 109.264 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 22' ' ' THR . 1.6 mtmt -110.89 161.76 15.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -131.67 92.44 3.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.595 ' O ' HG22 ' A' ' 21' ' ' VAL . 1.9 mp -96.94 120.16 62.1 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.43 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.4 Cg_endo -74.99 123.45 7.9 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.492 1.785 . . . . 0.0 110.96 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.569 HG23 HG22 ' A' ' 21' ' ' VAL . 53.7 t -105.85 153.79 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.827 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -133.53 121.91 22.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.8 123.94 38.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.4 p -139.81 158.45 44.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 108.318 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.05 116.94 29.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.655 HG21 HG22 ' A' ' 73' ' ' ILE . 92.5 t -51.74 113.64 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -79.03 -48.17 14.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.352 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.92 149.05 30.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.0 -137.51 18.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.633 ' OE1' HG13 ' A' ' 72' ' ' VAL . 2.7 pt20 -157.2 174.8 14.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 0.739 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.522 HD22 ' SG ' ' A' ' 98' ' ' CYS . 45.8 mt -117.34 124.59 49.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -102.62 121.48 42.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.457 ' HG2' ' CD2' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -74.66 73.98 2.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.454 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 4.8 p-80 165.64 -34.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.606 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.434 ' HE3' ' CD1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -61.63 178.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.557 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -94.03 150.81 20.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.557 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 16.2 m-85 -146.47 178.19 8.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.555 ' HD2' HD11 ' A' ' 49' ' ' ILE . 8.2 pttt -163.56 155.21 17.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.718 HD23 HG13 ' A' ' 55' ' ' ILE . 21.1 tp -106.9 122.34 46.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.759 ' N ' HD12 ' A' ' 49' ' ' ILE . 2.3 mp -108.47 114.52 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.47 ' HB2' ' CD1' ' A' ' 55' ' ' ILE . 7.1 ttp-105 -126.45 119.12 26.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.462 ' N ' ' OD1' ' A' ' 51' ' ' ASN . 0.8 OUTLIER 75.36 3.24 3.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.53 -12.01 42.91 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -103.95 147.64 27.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 110.312 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.444 HG22 HG13 ' A' ' 49' ' ' ILE . 4.7 t -87.48 133.91 29.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.718 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -105.21 -43.56 7.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.803 ' CG ' HD13 ' A' ' 83' ' ' LEU . 40.3 t90 -124.63 138.43 54.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 107.993 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.02 113.36 9.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.508 ' C ' ' CH2' ' A' ' 56' ' ' TRP . . . 168.79 -158.06 30.49 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.2 p -105.99 152.47 23.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.767 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.589 ' CD2' HD13 ' A' ' 81' ' ' LEU . 8.9 mt -73.82 158.17 35.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 64.8 p -106.33 -26.74 11.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.415 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -148.68 162.78 39.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.011 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.457 ' CD2' ' HG2' ' A' ' 42' ' ' ARG . 2.5 tp -170.61 123.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -130.33 150.15 51.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 2.2 t60 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.582 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.448 HG21 HD11 ' A' ' 73' ' ' ILE . 12.5 tt -92.26 168.6 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.228 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.22 -34.83 4.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.633 HG13 ' OE1' ' A' ' 39' ' ' GLN . 5.6 t -119.98 142.43 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.655 HG22 HG21 ' A' ' 35' ' ' VAL . 7.5 mm -122.75 125.97 73.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -79.21 -171.36 2.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.2 m -85.53 146.32 26.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.401 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 73.65 3.62 63.54 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.515 1.135 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.5 mmm -94.61 132.55 39.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 0.74 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.412 ' O ' ' ND1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -84.74 142.19 30.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.458 ' HB3' HD12 ' A' ' 73' ' ' ILE . 27.6 p -162.32 162.44 27.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 108.322 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -122.52 139.0 12.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.589 HD13 ' CD2' ' A' ' 60' ' ' LEU . 4.6 pp -130.55 152.06 50.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 0.748 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.5 p -135.82 153.26 51.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.001 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.803 HD13 ' CG ' ' A' ' 56' ' ' TRP . 4.6 mt -107.37 146.17 31.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -54.93 -20.28 8.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -94.68 133.6 38.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -91.5 -32.43 15.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.65 -42.7 62.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.652 HG21 ' HB2' ' A' ' 56' ' ' TRP . 14.6 p -70.09 122.98 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -120.21 138.9 53.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.339 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.827 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -93.86 145.36 24.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.97 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.93 161.48 61.22 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 54.89 3.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -174.65 33.04 0.1 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.452 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 0.1 OUTLIER -117.18 -165.97 1.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.773 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' ILE . 33.8 mt-30 -153.42 152.5 31.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.5 t -128.73 97.92 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.459 HD12 ' HG2' ' A' ' 12' ' ' GLU . 8.4 mm -88.78 109.74 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.522 ' SG ' HD22 ' A' ' 40' ' ' LEU . 3.9 m -97.85 94.01 6.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 108.319 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 20.0 p90 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 111.017 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 110.978 -0.431 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.1 mt -73.68 -45.37 50.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -167.98 146.77 10.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -100.8 143.55 30.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.93 130.51 35.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.59 140.57 34.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.515 ' CG2' HG22 ' A' ' 18' ' ' THR . 75.0 mt -88.23 118.56 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.735 HD11 ' HB2' ' A' ' 34' ' ' ARG . 10.3 mt -91.51 -39.02 12.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.1 162.15 38.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.515 HG22 ' CG2' ' A' ' 15' ' ' ILE . 8.7 p -143.82 143.55 31.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.365 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -161.61 -177.22 5.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 29' ' ' PRO . 7.4 m -115.43 166.37 11.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 110.446 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 28' ' ' ILE . 6.7 m -137.55 159.89 34.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.1 m -111.11 135.9 50.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.416 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -144.21 99.14 3.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.95 -47.85 3.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -179.83 -38.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.46 175.04 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.37 101.25 5.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.657 ' N ' HD12 ' A' ' 28' ' ' ILE . 3.8 mp -90.42 123.51 65.27 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.409 ' HA ' ' HA ' ' A' ' 20' ' ' THR . 18.2 Cg_endo -75.02 129.26 12.17 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.541 HG23 HG22 ' A' ' 21' ' ' VAL . 77.4 t -116.81 157.87 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.811 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -133.76 119.54 19.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.94 121.3 31.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.246 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.3 p -132.6 151.32 51.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 108.309 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.735 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -107.85 118.56 37.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.68 HG21 HG22 ' A' ' 73' ' ' ILE . 51.9 t -55.39 118.88 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.454 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 5.6 mm-40 -94.91 -39.36 10.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.454 ' CG ' ' O ' ' A' ' 36' ' ' GLN . 2.1 mttm -155.49 134.56 12.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.47 -151.61 23.51 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.434 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 9.8 pt20 -143.55 167.19 22.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.2 mt -117.98 127.05 53.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.509 ' O ' HD22 ' A' ' 63' ' ' LEU . 27.9 mt-10 -96.07 177.82 5.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.78 -22.61 10.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -114.76 43.78 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.616 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -130.18 173.42 10.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.524 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.6 OUTLIER -90.18 146.88 23.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 98' ' ' CYS . 20.0 m-85 -145.01 173.93 11.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.792 ' CD ' HD11 ' A' ' 49' ' ' ILE . 1.2 pttm -163.48 151.99 13.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.906 HD23 HG13 ' A' ' 55' ' ' ILE . 20.2 tp -104.21 120.32 40.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.792 HD11 ' CD ' ' A' ' 47' ' ' LYS . 2.0 mp -110.52 110.26 31.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.35 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.435 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 9.7 ttp-105 -121.54 115.44 22.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 1.1 t-20 77.16 7.25 3.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.06 -14.16 55.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.11 . . . . 0.0 111.04 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -98.69 150.41 21.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 t -92.95 124.57 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.906 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -95.68 -34.94 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 1.022 ' CG ' HD13 ' A' ' 83' ' ' LEU . 35.1 t90 -136.66 140.43 42.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 107.984 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -137.58 137.63 38.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 147.47 -135.51 5.65 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.42 1.075 . . . . 0.0 111.035 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 p -130.5 152.2 50.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.989 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.67 ' CD2' HD13 ' A' ' 81' ' ' LEU . 14.9 mt -70.5 164.46 24.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.0 p -108.07 -17.33 14.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.5 m -163.01 161.66 25.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.509 HD22 ' O ' ' A' ' 41' ' ' GLU . 12.3 tp -162.23 115.13 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -126.92 160.78 30.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 2.8 t60 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.584 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.8 tt -90.56 164.26 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.466 ' O ' HD23 ' A' ' 63' ' ' LEU . 89.4 p -116.01 -35.56 4.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.7 t -105.28 150.01 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.355 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.68 HG22 HG21 ' A' ' 35' ' ' VAL . 25.0 mm -134.7 122.33 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -78.82 178.25 8.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.9 m -78.69 137.71 37.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.402 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.85 1.89 79.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.451 1.094 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.3 mmm -98.54 138.53 35.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.73 133.95 36.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 24.1 p -150.47 159.07 44.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 108.273 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -124.2 127.99 6.66 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.67 HD13 ' CD2' ' A' ' 60' ' ' LEU . 4.6 pp -114.85 166.66 11.52 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 0.799 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 97.4 p -146.47 156.48 43.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.022 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.022 HD13 ' CG ' ' A' ' 56' ' ' TRP . 12.2 mt -108.09 157.13 18.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -71.22 -17.78 62.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.44 ' C ' ' N ' ' A' ' 87' ' ' LYS . 4.8 tp10 -104.37 73.59 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -39.7 -29.24 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.44 ' N ' ' C ' ' A' ' 85' ' ' GLU . 8.4 mttm -46.31 -46.62 18.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.715 HG11 ' HB2' ' A' ' 56' ' ' TRP . 58.3 t -67.97 119.91 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -107.04 138.73 42.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.341 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.811 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -93.45 147.44 22.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.04 160.12 68.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 104.72 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.524 1.802 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.57 39.72 0.32 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.46 -166.61 1.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 0.737 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -143.52 146.63 33.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.418 HG11 HD21 ' A' ' 81' ' ' LEU . 16.1 t -130.61 99.46 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 46.6 mm -90.33 126.99 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.566 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 20.4 t -111.0 100.72 9.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 108.285 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 45' ' ' LYS . 35.3 p90 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.912 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.553 HG21 ' OE1' ' A' ' 41' ' ' GLU . 69.4 mt -79.81 -40.65 21.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.15 145.91 10.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -114.54 164.56 13.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 110.283 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.8 150.64 30.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.02 134.77 55.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.994 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.531 HD13 ' HB3' ' A' ' 90' ' ' PHE . 61.0 mt -79.93 120.17 30.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.555 HD11 ' HB2' ' A' ' 34' ' ' ARG . 17.7 mt -93.64 -38.27 11.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -143.19 160.48 40.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.528 HG21 ' CA ' ' A' ' 91' ' ' LYS . 34.6 p -140.82 134.79 30.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 0.0 110.406 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' VAL . 6.9 p90 -155.92 -177.83 6.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.659 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.9 m -120.37 163.32 18.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.44 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.593 HG22 HG23 ' A' ' 30' ' ' VAL . 3.8 m -132.5 160.51 42.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.4 m -115.64 138.46 51.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.414 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -141.85 99.49 3.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.49 -49.03 4.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.047 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.07 -40.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 0.775 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.39 172.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.48 98.3 4.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.556 ' O ' HG22 ' A' ' 21' ' ' VAL . 4.3 mp -90.0 125.76 59.52 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.659 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.4 Cg_endo -75.01 137.99 22.42 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.539 1.81 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.593 HG23 HG22 ' A' ' 21' ' ' VAL . 52.0 t -125.9 151.03 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.73 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -128.81 121.53 28.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.74 123.13 35.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 p -133.09 150.24 52.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 108.284 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.555 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -111.46 116.83 31.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.614 HG21 HG22 ' A' ' 73' ' ' ILE . 45.2 t -52.53 125.8 7.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -105.91 -33.63 7.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 110.285 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -147.69 136.63 22.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.17 -157.91 53.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -133.86 176.75 8.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.3 mt -117.14 124.59 49.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.553 ' OE1' HG21 ' A' ' 10' ' ' ILE . 5.5 mt-10 -105.95 117.77 34.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.444 ' CG ' ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -67.28 70.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.335 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.414 ' N ' ' O ' ' A' ' 41' ' ' GLU . 1.7 t-80 -179.11 -44.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.596 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 mmtm -56.9 -171.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.595 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 1.4 mptp? -97.96 165.12 12.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 30.2 m-85 -151.39 160.35 43.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.464 ' HE2' ' CE1' ' A' ' 99' ' ' TYR . 5.3 pttt -150.36 139.05 20.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.419 ' O ' ' CD1' ' A' ' 55' ' ' ILE . 30.4 tp -103.81 101.76 11.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 94' ' ' ASP . 1.6 mp -89.18 117.91 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.577 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 6.6 ttm180 -119.11 110.68 17.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.577 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 11.2 t-20 88.21 -36.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 162.54 -26.66 0.24 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -105.97 150.44 25.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 110.247 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.422 HG12 ' H ' ' A' ' 54' ' ' VAL . 1.3 p -83.7 147.76 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.519 HD11 ' HB2' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -113.03 -32.38 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.779 ' CG ' HD13 ' A' ' 83' ' ' LEU . 78.6 t90 -130.36 133.55 46.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 108.015 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.52 128.28 31.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 46' ' ' PHE . . . 151.24 -160.54 28.73 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.499 1.125 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.59 150.68 21.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 0.739 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.858 HD22 HD13 ' A' ' 81' ' ' LEU . 5.9 mt -72.19 159.46 34.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.528 HG21 ' HB3' ' A' ' 84' ' ' ASP . 69.4 p -102.24 -13.19 17.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.431 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.4 m -159.83 167.54 27.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.444 ' HB3' ' CG ' ' A' ' 42' ' ' ARG . 14.3 tp -176.23 121.22 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -139.53 155.55 47.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 15.5 t60 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.603 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.427 HG21 HD11 ' A' ' 73' ' ' ILE . 5.1 tt -91.8 170.68 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.57 -43.47 3.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.984 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.3 t -109.47 143.4 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.626 HG21 ' SG ' ' A' ' 79' ' ' CYS . 28.4 mm -120.81 116.21 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -76.61 -176.33 3.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.1 m -77.58 152.9 33.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.41 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.83 10.13 57.83 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 65.1 mtp -104.43 123.58 47.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 0.747 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.52 132.27 34.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.626 ' SG ' HG21 ' A' ' 73' ' ' ILE . 13.6 p -147.22 156.0 42.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 108.322 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -119.71 130.26 8.38 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.858 HD13 HD22 ' A' ' 60' ' ' LEU . 3.6 pp -117.56 176.25 5.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.791 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.2 p -156.09 139.39 15.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.99 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.779 HD13 ' CG ' ' A' ' 56' ' ' TRP . 1.1 mt -93.81 142.9 26.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.528 ' HB3' HG21 ' A' ' 61' ' ' THR . 11.6 p-10 -55.95 -26.07 46.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -93.95 91.5 6.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.337 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.68 -19.7 28.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -57.78 -43.03 85.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.609 HG11 ' HB2' ' A' ' 56' ' ' TRP . 23.7 t -67.29 133.71 31.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -122.94 141.18 52.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.73 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -97.59 171.14 8.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.528 ' CA ' HG21 ' A' ' 18' ' ' THR . 24.2 mttm -155.24 159.55 31.64 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 54.7 3.73 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.489 1.784 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -175.71 33.23 0.09 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.421 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 2.4 m-20 -117.24 -171.66 2.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 0.8 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -139.84 154.56 47.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.466 ' C ' HD12 ' A' ' 97' ' ' ILE . 41.5 t -137.22 97.75 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.607 ' N ' HD12 ' A' ' 97' ' ' ILE . 1.2 mp -90.42 122.91 42.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 11.7 t -106.09 96.8 6.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 108.314 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.464 ' CE1' ' HE2' ' A' ' 47' ' ' LYS . 7.6 p90 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 111.053 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.846 0 N-CA-C 110.967 -0.436 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.2 mt -78.33 -44.01 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -165.45 134.56 3.35 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -100.58 125.46 46.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 0.788 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.91 143.0 42.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.95 133.63 55.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.613 HD13 ' HB3' ' A' ' 90' ' ' PHE . 47.7 mt -79.95 126.92 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.612 HD11 ' HB2' ' A' ' 34' ' ' ARG . 8.0 mt -103.84 -34.07 8.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -145.34 155.03 42.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.513 HG21 ' N ' ' A' ' 91' ' ' LYS . 28.7 p -140.38 137.34 33.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.374 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 10.1 p90 -152.98 -178.57 7.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -119.67 163.08 17.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.432 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.621 HG22 HG23 ' A' ' 30' ' ' VAL . 3.6 m -138.39 160.88 31.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.7 m -115.12 126.62 54.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.416 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -148.03 98.78 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.309 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.09 56.44 4.03 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.0 mttt 51.07 28.28 3.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 0.775 . . . . 0.0 109.273 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 mtmm -119.11 170.19 9.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.37 92.61 3.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.533 ' O ' HG22 ' A' ' 21' ' ' VAL . 4.4 mp -94.51 119.68 66.02 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 122.94 7.53 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.458 1.767 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.621 HG23 HG22 ' A' ' 21' ' ' VAL . 78.1 t -105.38 157.45 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.826 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -136.7 119.1 15.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.23 119.35 33.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.2 p -131.12 152.9 49.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 108.304 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.612 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -109.77 117.25 33.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.5 t -51.44 120.71 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -94.37 -34.96 12.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 110.332 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -148.36 143.12 26.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.14 -137.9 27.19 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.46 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 6.9 pt20 -154.45 174.22 15.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.3 mt -116.89 124.62 49.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -110.82 129.65 55.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.441 ' CG ' ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -78.02 82.59 4.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 177.04 -56.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.579 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -52.71 -176.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.55 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 5.2 mttt -98.19 164.61 12.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 98' ' ' CYS . 28.5 m-85 -148.58 173.65 12.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.691 ' HD2' HD11 ' A' ' 49' ' ' ILE . 15.4 pttm -160.88 147.03 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.567 HD21 ' HA ' ' A' ' 90' ' ' PHE . 20.7 tp -103.79 107.24 18.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.691 HD11 ' HD2' ' A' ' 47' ' ' LYS . 3.1 mp -92.0 121.18 42.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.557 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 2.6 ttm180 -131.62 111.24 11.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.097 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.557 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 4.5 t30 87.03 -12.34 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 130.05 -22.88 4.74 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -106.43 147.17 29.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 0.716 . . . . 0.0 110.343 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.506 HG12 HG13 ' A' ' 49' ' ' ILE . 0.6 OUTLIER -79.29 147.61 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.518 ' CD1' ' O ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -114.72 -15.51 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.874 ' CD2' HD22 ' A' ' 83' ' ' LEU . 53.1 t90 -146.89 138.94 24.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 107.994 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.1 131.81 37.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.488 ' O ' ' CH2' ' A' ' 56' ' ' TRP . . . 141.37 -164.79 26.53 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.472 1.107 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.35 151.58 21.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 110.012 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.919 HD22 ' HB2' ' A' ' 81' ' ' LEU . 0.8 OUTLIER -67.84 167.69 13.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.468 ' CG2' ' HB3' ' A' ' 84' ' ' ASP . 24.0 p -104.53 -19.85 13.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.354 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.8 m -161.64 169.45 21.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.441 ' HB3' ' CG ' ' A' ' 42' ' ' ARG . 10.2 tp -169.4 122.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -132.95 149.23 52.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.541 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 33.8 t60 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.593 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.715 ' CG2' HD11 ' A' ' 73' ' ' ILE . 9.5 tt -90.67 169.27 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 m -118.1 -39.92 3.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.987 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.8 t -116.79 135.1 58.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.715 HD11 ' CG2' ' A' ' 70' ' ' ILE . 19.8 mm -113.38 116.72 53.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -73.38 -175.35 1.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 57.0 m -78.9 144.08 35.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.415 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.85 12.94 84.12 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.5 mmm -106.35 127.57 53.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 111.039 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.93 129.77 35.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 18.9 p -143.79 157.15 44.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 0.0 108.305 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -116.32 130.34 8.95 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.919 ' HB2' HD22 ' A' ' 60' ' ' LEU . 4.4 pp -121.91 151.18 40.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 p -130.49 134.81 47.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.051 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.874 HD22 ' CD2' ' A' ' 56' ' ' TRP . 13.3 mt -86.35 164.05 17.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.468 ' HB3' ' CG2' ' A' ' 61' ' ' THR . 2.2 p30 -90.99 41.54 1.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.636 ' O ' HG12 ' A' ' 88' ' ' VAL . 3.4 tp10 -159.88 130.53 5.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.46 -33.65 25.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -48.12 -45.93 33.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.346 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.636 HG12 ' O ' ' A' ' 85' ' ' GLU . 12.2 p -64.9 144.09 15.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -141.37 122.28 14.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.826 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 3.5 m-85 -76.04 -178.72 4.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.978 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.513 ' N ' HG21 ' A' ' 18' ' ' THR . 0.1 OUTLIER -172.02 155.7 3.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 54.75 3.76 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -177.37 34.09 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -120.71 -172.25 2.34 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.484 0.755 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -138.68 146.83 42.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 110.319 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.7 t -127.84 99.15 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.8 mm -86.93 132.57 32.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.56 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 9.4 t -117.14 96.14 5.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 108.3 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 16.8 p90 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.404 ' HA ' ' CB ' ' A' ' 99' ' ' TYR . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 111.001 -0.423 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.965 HD12 ' HA ' ' A' ' 99' ' ' TYR . 2.7 mt -69.74 -31.92 50.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 179.55 142.13 4.87 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.445 ' HB2' ' CE ' ' A' ' 37' ' ' LYS . 35.4 mt-10 -106.32 146.21 30.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.766 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 96' ' ' VAL . . . -141.2 135.01 30.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 33' ' ' CYS . 3.5 m -105.51 161.52 14.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.595 HD13 ' HB3' ' A' ' 90' ' ' PHE . 88.6 mt -101.9 124.48 55.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.822 HD11 ' HB2' ' A' ' 34' ' ' ARG . 6.5 mt -98.91 -37.85 9.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -145.35 151.45 38.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.637 HG21 ' CA ' ' A' ' 91' ' ' LYS . 30.7 p -133.93 135.9 43.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.457 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.469 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 14.1 p90 -153.6 -178.06 6.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.654 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.7 m -124.04 163.27 21.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.42 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.57 HG22 HG23 ' A' ' 30' ' ' VAL . 8.0 m -133.79 157.61 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.4 m -116.54 133.6 55.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.391 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -145.96 100.7 3.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . 75.38 40.88 32.1 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 111.034 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 4.2 tttt 87.2 -45.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.575 ' CG ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -58.76 167.89 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.266 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 0.1 OUTLIER -132.52 108.12 8.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.616 ' N ' HD12 ' A' ' 28' ' ' ILE . 4.0 mp -94.69 129.89 34.93 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.654 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.2 Cg_endo -75.03 138.81 23.44 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.57 HG23 HG22 ' A' ' 21' ' ' VAL . 51.5 t -129.52 154.8 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.663 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -139.66 119.52 13.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.88 115.49 26.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 14' ' ' SER . 1.3 p -124.79 149.13 47.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 108.3 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.822 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -112.18 121.94 46.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.479 HG21 HG22 ' A' ' 73' ' ' ILE . 30.6 t -60.02 119.3 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -99.69 -28.78 13.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.285 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.445 ' CE ' ' HB2' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -150.97 139.57 20.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.08 -147.23 42.56 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -143.82 170.16 16.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.763 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.0 mt -117.63 124.83 49.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -109.22 165.36 11.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.2 69.27 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -179.97 -45.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.657 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -52.09 175.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.558 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.4 OUTLIER -95.06 156.11 16.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.558 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 18.9 m-85 -146.22 171.61 14.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 111.054 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.632 ' HD2' HD11 ' A' ' 49' ' ' ILE . 0.4 OUTLIER -163.7 150.7 12.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.81 HD23 HG13 ' A' ' 55' ' ' ILE . 25.7 tp -105.0 120.39 41.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.704 ' N ' HD12 ' A' ' 49' ' ' ILE . 2.1 mp -106.77 117.13 51.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 8.3 ttm180 -123.66 114.22 19.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 0.6 OUTLIER 77.15 1.0 3.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.82 -15.19 24.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.446 1.091 . . . . 0.0 111.049 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -99.73 146.52 26.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.666 HG22 HG13 ' A' ' 49' ' ' ILE . 78.3 t -86.72 135.6 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.81 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -108.09 -33.48 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.859 ' CG ' HD13 ' A' ' 83' ' ' LEU . 69.7 t90 -137.8 135.54 36.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 107.99 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -137.92 113.76 9.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.465 ' O ' ' CH2' ' A' ' 56' ' ' TRP . . . 167.41 -166.77 39.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 p -91.79 152.68 20.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 109.96 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.675 HD22 HD13 ' A' ' 81' ' ' LEU . 15.2 mt -74.8 153.89 38.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 59.7 p -90.77 -27.72 18.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 110.398 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.7 m -157.69 157.24 33.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.4 tp -154.11 115.26 4.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -131.83 155.7 47.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.606 ' CD2' ' O ' ' A' ' 78' ' ' ASP . 64.4 t-80 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.567 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.613 HG21 HD11 ' A' ' 73' ' ' ILE . 13.8 tt -91.84 167.27 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.9 t -115.7 -36.37 4.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.981 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.2 t -117.52 142.26 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.613 HD11 HG21 ' A' ' 70' ' ' ILE . 19.0 mm -122.01 117.34 52.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.098 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -73.49 -178.02 2.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 73.0 m -79.13 145.49 33.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.404 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 75.39 18.0 80.03 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.453 ' SD ' ' NE2' ' A' ' 65' ' ' HIS . 4.2 mmm -109.97 136.67 48.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.606 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 0.4 OUTLIER -94.57 127.51 40.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 14.2 p -140.73 156.37 46.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 108.324 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -118.85 128.73 7.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.153 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.675 HD13 HD22 ' A' ' 60' ' ' LEU . 4.6 pp -121.25 163.53 18.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.43 0.723 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 12.8 p -145.06 145.15 31.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.97 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.859 HD13 ' CG ' ' A' ' 56' ' ' TRP . 10.1 mt -97.42 147.04 24.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.18 -26.04 67.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.27 92.03 7.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.264 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -56.45 -18.75 12.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -44.59 91.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.607 HG11 ' HB2' ' A' ' 56' ' ' TRP . 47.5 t -66.77 128.6 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -120.65 136.53 54.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 110.263 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.663 ' CD2' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -89.48 -172.73 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.637 ' CA ' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -175.09 158.66 2.18 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 58.23 4.85 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.461 1.769 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -178.35 35.07 0.08 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.455 ' HB2' HD12 ' A' ' 15' ' ' ILE . 24.8 m-20 -126.44 179.91 5.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.784 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -133.31 154.18 50.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 13' ' ' ALA . 24.9 t -130.82 98.69 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.572 ' N ' HD12 ' A' ' 97' ' ' ILE . 1.2 mp -86.27 114.64 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.498 ' SG ' ' CE2' ' A' ' 46' ' ' PHE . 38.7 t -99.49 97.14 8.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 108.336 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.965 ' HA ' HD12 ' A' ' 10' ' ' ILE . 3.1 p90 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 110.933 -0.449 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.3 mt -77.26 -43.81 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.409 ' CA ' ' HA3' ' A' ' 38' ' ' GLY . . . -163.41 142.02 7.55 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -101.89 161.57 13.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 110.347 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.663 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . . . -149.86 148.36 29.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.38 128.68 49.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.553 HD13 ' HB3' ' A' ' 90' ' ' PHE . 56.8 mt -77.27 116.36 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.77 HD11 ' HB2' ' A' ' 34' ' ' ARG . 15.3 mt -90.18 -35.79 15.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -147.32 163.85 35.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.468 HG22 ' CG2' ' A' ' 15' ' ' ILE . 15.3 p -142.39 146.75 35.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.163 . . . . 0.0 110.396 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.55 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 22.9 p90 -165.06 -177.34 4.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.459 HG23 ' HA ' ' A' ' 29' ' ' PRO . 11.1 m -122.28 169.14 11.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 110.391 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.64 HG22 HG23 ' A' ' 30' ' ' VAL . 5.2 m -142.17 159.2 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.5 m -112.8 135.35 53.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -140.34 99.16 3.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.25 -49.97 4.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -174.19 -40.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.302 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.419 ' CG ' ' N ' ' A' ' 27' ' ' LYS . 3.3 ttpm? -67.78 158.98 31.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.419 ' N ' ' CG ' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -118.68 105.44 11.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.574 ' O ' HG22 ' A' ' 21' ' ' VAL . 3.7 mp -92.18 122.49 64.78 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.459 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.2 Cg_endo -75.02 123.62 8.01 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.789 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.64 HG23 HG22 ' A' ' 21' ' ' VAL . 70.2 t -107.15 157.78 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.41 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -138.02 116.22 11.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.07 121.74 29.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 p -133.91 153.39 51.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 108.311 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.77 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -107.68 127.01 53.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.33 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.755 HG22 HD23 ' A' ' 40' ' ' LEU . 89.7 t -67.84 112.98 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -87.02 -43.64 12.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.52 147.47 31.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.409 ' HA3' ' CA ' ' A' ' 11' ' ' GLY . . . 78.22 -142.59 26.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.731 ' C ' HD22 ' A' ' 40' ' ' LEU . 8.0 pt20 -160.45 154.2 22.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 0.746 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.755 HD23 HG22 ' A' ' 35' ' ' VAL . 0.6 OUTLIER -115.18 123.32 48.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.552 ' HG3' HG22 ' A' ' 72' ' ' VAL . 1.1 tt0 -102.16 178.25 4.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.02 58.35 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.411 ' O ' ' O ' ' A' ' 44' ' ' LYS . 37.1 t-80 -175.8 -44.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.614 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 43' ' ' HIS . 32.1 mmtt -51.81 -176.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.559 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 1.2 mttt -101.03 155.26 18.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.559 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 25.2 m-85 -150.23 177.29 10.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.52 ' HD2' HD11 ' A' ' 49' ' ' ILE . 1.3 pttt -161.99 152.38 17.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.9 HD23 HG13 ' A' ' 55' ' ' ILE . 16.9 tp -104.08 118.27 36.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.872 HD13 HD13 ' A' ' 97' ' ' ILE . 2.8 mp -104.1 115.51 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 20.4 ttp85 -121.17 111.43 17.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.575 1.172 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 0.8 OUTLIER 78.42 1.0 2.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.23 -16.9 22.15 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -97.06 148.06 23.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 0.737 . . . . 0.0 110.335 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 t -87.74 136.55 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.257 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.9 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -109.07 -43.08 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 1.031 ' CG ' HD13 ' A' ' 83' ' ' LEU . 22.5 t90 -126.66 139.72 52.95 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.98 132.12 31.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.364 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 147.07 -162.42 28.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.6 m -96.72 148.12 23.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 0.724 . . . . 0.0 109.985 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.509 HD22 HD13 ' A' ' 81' ' ' LEU . 12.4 mt -72.67 163.09 28.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.352 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.69 HG21 ' HB2' ' A' ' 84' ' ' ASP . 76.4 p -110.34 -17.38 13.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.431 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -153.45 159.8 42.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.021 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.7 tp -169.13 106.43 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -117.15 156.3 27.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.363 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.501 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 3.0 t60 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.645 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.762 ' CG2' HD11 ' A' ' 73' ' ' ILE . 13.0 tt -93.85 171.33 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 1.1 t -114.53 -37.46 4.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.97 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.552 HG22 ' HG3' ' A' ' 41' ' ' GLU . 21.2 t -117.11 151.64 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.762 HD11 ' CG2' ' A' ' 70' ' ' ILE . 17.5 mm -132.86 108.04 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -72.51 -174.58 1.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 92.0 m -77.35 146.7 36.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.56 -1.27 72.84 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.1 mmm -95.36 128.33 42.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.63 135.42 33.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 109.238 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.537 ' SG ' HG21 ' A' ' 73' ' ' ILE . 29.5 p -152.22 163.64 39.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.162 . . . . 0.0 108.3 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -124.44 134.04 8.92 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.565 HD21 HG21 ' A' ' 96' ' ' VAL . 4.4 pp -121.05 157.68 29.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 0.785 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 m -144.35 133.08 22.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.975 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.031 HD13 ' CG ' ' A' ' 56' ' ' TRP . 3.2 mt -90.17 140.22 29.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.69 ' HB2' HG21 ' A' ' 61' ' ' THR . 14.1 t70 -50.35 -24.93 3.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -87.69 133.65 33.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.327 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -94.03 -25.59 17.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.35 -44.37 80.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.711 HG11 HD12 ' A' ' 83' ' ' LEU . 9.7 p -64.97 124.44 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -116.5 137.77 51.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.553 ' HB3' HD13 ' A' ' 15' ' ' ILE . 0.9 OUTLIER -96.51 166.49 11.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 111.034 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -150.15 157.96 36.94 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 55.12 3.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.508 1.793 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.13 33.84 0.09 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -118.04 -168.61 1.54 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 9.4 mt-30 -147.42 148.06 30.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.663 ' HB ' ' HB3' ' A' ' 13' ' ' ALA . 2.5 t -120.44 99.13 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.872 HD13 HD13 ' A' ' 49' ' ' ILE . 1.2 mp -87.76 132.31 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.42 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 8.0 t -115.51 101.37 8.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.303 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 16.9 p90 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 110.989 -0.427 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.6 mt -67.74 -38.17 79.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -177.72 144.02 6.39 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.464 1.102 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -104.71 171.13 7.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 0.739 . . . . 0.0 110.344 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.876 ' CB ' HD11 ' A' ' 40' ' ' LEU . . . -161.58 133.25 5.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 m -99.82 144.81 28.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.635 HD13 ' HB3' ' A' ' 90' ' ' PHE . 59.4 mt -90.34 118.47 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.633 HD11 ' HB2' ' A' ' 34' ' ' ARG . 7.9 mt -91.93 -40.11 11.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -143.86 159.17 43.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.483 HG22 ' CG2' ' A' ' 15' ' ' ILE . 24.7 p -142.91 134.72 26.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.401 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -152.12 -177.81 6.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.5 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.8 m -119.09 163.34 17.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.637 HG22 HG23 ' A' ' 30' ' ' VAL . 4.9 m -139.51 160.22 27.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.403 ' O ' ' OE1' ' A' ' 23' ' ' GLU . 10.0 m -101.88 133.14 47.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.402 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' A' ' 22' ' ' THR . 6.7 mm-40 -145.68 98.95 3.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.18 33.89 48.09 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.499 1.124 . . . . 0.0 111.051 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 74.61 15.41 3.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.456 ' HE3' HD11 ' A' ' 28' ' ' ILE . 3.2 mtmt -106.68 -179.68 4.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.588 ' C ' HD13 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -124.07 100.48 6.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.588 HD13 ' C ' ' A' ' 27' ' ' LYS . 2.7 mm -100.09 118.33 61.67 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.5 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.3 Cg_endo -75.0 130.89 13.7 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.637 HG23 HG22 ' A' ' 21' ' ' VAL . 76.5 t -120.85 157.57 23.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.946 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -138.27 116.81 12.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.09 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.66 111.28 21.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.5 p -122.6 145.43 48.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 108.319 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.633 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -103.92 119.94 39.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 110.273 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.575 HG21 HG22 ' A' ' 73' ' ' ILE . 47.9 t -60.99 116.77 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -92.67 -35.61 13.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -148.68 143.5 26.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.06 -147.14 49.0 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.563 1.165 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.488 ' NE2' HG11 ' A' ' 72' ' ' VAL . 9.9 pt20 -143.07 167.86 21.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.876 HD11 ' CB ' ' A' ' 13' ' ' ALA . 35.0 mt -116.63 122.61 45.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.524 ' HG2' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -78.83 178.6 7.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.424 ' HD2' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -110.66 -35.48 5.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -92.57 -36.37 13.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.562 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.43 ' CG ' ' CB ' ' A' ' 41' ' ' GLU . 26.7 mmtt -44.74 168.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.577 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 1.5 mptp? -91.84 154.82 18.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.577 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 23.3 m-85 -148.56 174.41 12.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.2 pttt -160.31 151.05 18.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.649 HD23 HG13 ' A' ' 55' ' ' ILE . 24.8 tp -104.09 119.75 39.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.737 ' N ' HD12 ' A' ' 49' ' ' ILE . 2.3 mp -107.2 116.13 50.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 27.8 ttp85 -121.52 112.12 18.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 4.3 t30 78.16 1.36 2.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.75 -15.03 26.75 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -95.95 149.11 21.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 0.726 . . . . 0.0 110.277 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 t -90.49 132.43 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.649 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -105.98 -41.9 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.985 ' CG ' HD13 ' A' ' 83' ' ' LEU . 71.5 t90 -125.42 138.01 54.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 108.001 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.38 113.59 9.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 168.28 -152.36 20.35 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.74 146.24 36.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.777 . . . . 0.0 110.013 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.991 HD22 HD13 ' A' ' 81' ' ' LEU . 18.8 mt -64.84 154.67 36.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.6 p -92.3 -27.05 17.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.422 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.9 m -158.33 176.83 11.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.97 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.424 ' N ' ' HD2' ' A' ' 42' ' ' ARG . 3.9 tp -176.23 107.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -116.08 153.32 31.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.505 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 2.1 t60 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.609 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.418 ' CG2' HD11 ' A' ' 73' ' ' ILE . 9.2 tt -97.13 162.14 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.0 p -92.2 -58.4 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.524 HG12 ' HG2' ' A' ' 41' ' ' GLU . 15.2 m -105.04 167.02 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.575 HG22 HG21 ' A' ' 35' ' ' VAL . 23.5 mm -132.48 101.62 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -54.02 177.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.258 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.2 m -74.56 150.33 39.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.373 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.54 -1.96 59.79 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.1 mmm -89.1 135.66 33.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 0.736 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.11 124.22 45.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 30.9 p -141.98 161.25 38.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 108.277 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -125.66 123.89 5.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.991 HD13 HD22 ' A' ' 60' ' ' LEU . 4.6 pp -112.91 169.41 8.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.3 p -146.61 153.89 40.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.014 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.985 HD13 ' CG ' ' A' ' 56' ' ' TRP . 11.7 mt -106.34 143.49 34.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -53.6 -22.47 8.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -94.85 134.49 37.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -90.6 -32.85 16.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.347 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.92 -45.71 51.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.616 HG21 ' HB2' ' A' ' 56' ' ' TRP . 9.3 p -65.96 130.72 31.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -128.19 131.87 48.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.946 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 1.6 m-85 -81.69 150.69 27.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -133.15 155.41 81.01 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 55.02 3.82 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.543 1.812 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.88 33.88 0.08 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -121.81 -175.76 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.789 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -133.59 155.61 49.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.426 ' C ' HD12 ' A' ' 97' ' ' ILE . 21.2 t -133.51 99.01 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.637 ' N ' HD12 ' A' ' 97' ' ' ILE . 1.3 mp -88.44 122.39 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.496 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 31.8 t -105.98 98.6 8.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.299 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 9.8 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.901 0 N-CA-C 111.026 -0.413 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.428 ' N ' ' O ' ' A' ' 98' ' ' CYS . 70.0 mt -68.99 -42.35 82.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 177.84 144.42 5.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.564 1.165 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -100.64 164.74 11.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.585 ' CB ' HD11 ' A' ' 40' ' ' LEU . . . -158.73 134.24 8.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.2 m -100.94 149.69 23.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.006 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.669 HD13 ' HB3' ' A' ' 90' ' ' PHE . 53.2 mt -91.98 119.59 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.712 HD11 ' HB2' ' A' ' 34' ' ' ARG . 10.6 mt -91.43 -36.4 13.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.26 163.15 39.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.417 HG22 ' CG2' ' A' ' 15' ' ' ILE . 19.1 p -142.38 138.69 31.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.445 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -155.26 -177.87 6.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 m -117.4 165.5 13.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.409 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 28' ' ' ILE . 6.7 m -136.3 158.45 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.3 m -116.32 136.99 52.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.383 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -141.97 99.3 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 110.316 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.24 -48.09 3.98 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.41 -39.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.65 175.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.03 106.08 7.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.698 ' N ' HD12 ' A' ' 28' ' ' ILE . 3.0 mp -97.21 127.66 37.72 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 28' ' ' ILE . 18.4 Cg_endo -74.95 142.74 28.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.517 HG23 HG22 ' A' ' 21' ' ' VAL . 56.0 t -132.09 152.29 36.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.815 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -132.55 115.18 15.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.75 116.8 22.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.7 p -127.92 145.12 51.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 108.283 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.712 ' HB2' HD11 ' A' ' 16' ' ' LEU . 1.6 tpt180 -105.66 115.75 30.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.58 HG21 HG22 ' A' ' 73' ' ' ILE . 86.9 t -56.31 118.65 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 109.326 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -93.45 -37.08 12.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -144.62 147.13 32.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.08 -146.29 45.55 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.45 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 8.3 pt20 -143.83 170.78 15.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 0.777 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.585 HD11 ' CB ' ' A' ' 13' ' ' ALA . 16.8 mt -116.03 122.75 46.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.51 ' O ' HD22 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -75.5 171.14 14.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.412 1.07 . . . . 0.0 110.325 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.542 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -111.13 122.53 48.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 110.282 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.542 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 2.0 t60 90.41 -24.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.566 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.465 ' HG3' ' CB ' ' A' ' 41' ' ' GLU . 37.0 mmtt -49.92 179.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.574 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 5.8 mptt -90.53 141.49 28.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.574 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 21.8 m-85 -148.03 179.11 7.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -162.22 152.03 16.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.833 HD23 HG13 ' A' ' 55' ' ' ILE . 28.8 tp -104.21 121.31 43.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.777 ' N ' HD12 ' A' ' 49' ' ' ILE . 1.8 mp -110.85 113.06 43.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 21.2 ttm180 -119.96 113.47 20.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.26 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 7.8 m-20 77.66 1.27 2.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.08 -14.95 28.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -94.91 149.24 21.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 0.785 . . . . 0.0 110.296 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.5 t -92.25 126.36 44.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.833 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -99.87 -41.85 9.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.779 ' CG ' HD13 ' A' ' 83' ' ' LEU . 59.8 t90 -128.3 135.88 50.22 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.95 115.93 11.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 169.19 -145.4 9.38 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.42 141.2 48.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 0.736 . . . . 0.0 109.996 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.994 HD22 HD13 ' A' ' 81' ' ' LEU . 67.1 mt -59.25 168.55 1.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.9 p -108.21 -23.17 12.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.384 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -167.38 156.16 9.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.51 HD22 ' O ' ' A' ' 41' ' ' GLU . 14.9 tp -155.33 105.09 2.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -115.25 162.09 17.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.514 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 3.5 t60 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.608 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.9 tt -95.81 160.11 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.25 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.79 -58.69 2.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.469 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 10.3 m -102.82 163.46 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.58 HG22 HG21 ' A' ' 35' ' ' VAL . 28.6 mm -128.08 101.63 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -58.14 176.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.3 m -73.43 145.15 45.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.94 -11.64 56.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.135 . . . . 0.0 110.961 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.432 ' SD ' ' CE1' ' A' ' 65' ' ' HIS . 2.6 mmm -83.23 128.68 34.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.65 127.62 38.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 27.1 p -141.23 159.71 41.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 108.318 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -126.54 121.4 4.01 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.547 1.155 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.994 HD13 HD22 ' A' ' 60' ' ' LEU . 4.5 pp -109.91 168.07 9.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 0.788 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 29.3 t -144.81 150.53 37.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.779 HD13 ' CG ' ' A' ' 56' ' ' TRP . 5.4 mt -103.39 148.03 26.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -63.12 -21.99 66.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -99.86 77.32 2.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.14 -27.0 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -48.79 -47.91 41.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.745 HG11 ' HB2' ' A' ' 56' ' ' TRP . 44.9 t -65.35 127.04 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -116.17 135.44 53.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.343 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.815 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -87.7 162.8 16.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 111.042 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -143.67 156.6 59.59 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 54.8 3.74 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.501 1.79 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -177.54 34.27 0.08 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.549 1.156 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.08 -168.14 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 0.73 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' ILE . 17.3 mt-30 -143.2 153.87 43.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.508 ' C ' HD12 ' A' ' 97' ' ' ILE . 24.7 t -133.97 99.46 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.64 ' N ' HD12 ' A' ' 97' ' ' ILE . 1.3 mp -92.78 113.68 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.464 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 34.2 t -92.95 120.79 33.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 108.292 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.8 p90 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 110.923 -0.453 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.7 mt -73.43 -42.41 56.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -172.1 146.3 9.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -108.32 163.5 13.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.62 131.0 15.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.56 139.54 33.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 110.04 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.647 HD13 ' HB3' ' A' ' 90' ' ' PHE . 42.7 mt -85.17 118.98 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.748 HD11 ' HB2' ' A' ' 34' ' ' ARG . 9.1 mt -92.21 -39.95 11.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -143.27 152.62 41.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.616 HG21 ' CA ' ' A' ' 91' ' ' LYS . 29.9 p -133.96 138.43 45.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.418 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 7.2 p90 -161.45 178.48 9.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.078 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.544 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.8 m -116.14 163.03 16.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.528 HG22 HG23 ' A' ' 30' ' ' VAL . 3.2 m -130.35 161.3 40.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.8 m -121.39 137.17 54.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.369 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.628 ' HG3' HD13 ' A' ' 28' ' ' ILE . 2.4 mt-10 -138.34 99.31 3.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.34 -51.07 4.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -170.56 -44.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 0.761 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 163.35 9.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.92 107.44 11.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.628 HD13 ' HG3' ' A' ' 23' ' ' GLU . 3.5 mp -93.2 135.95 25.05 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.544 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.3 Cg_endo -74.99 147.53 34.08 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.799 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.528 HG23 HG22 ' A' ' 21' ' ' VAL . 51.5 t -143.07 156.03 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.77 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -141.18 115.27 9.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -82.75 102.98 11.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.2 p -113.26 163.68 14.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 108.304 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.748 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -126.25 121.33 32.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.407 HG22 ' HG ' ' A' ' 40' ' ' LEU . 89.5 t -61.29 108.87 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -86.97 -40.86 14.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.54 138.97 38.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.9 -148.73 41.89 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.448 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 11.7 pt20 -146.47 172.26 13.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.783 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.407 ' HG ' HG22 ' A' ' 35' ' ' VAL . 70.4 mt -117.23 124.72 49.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -107.95 123.85 49.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.476 ' CG ' ' HB3' ' A' ' 63' ' ' LEU . 0.8 OUTLIER -71.06 75.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 110.296 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -178.5 -48.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.594 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -55.63 -170.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.598 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 1.2 mttm -102.8 165.91 10.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.598 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 18.9 m-85 -149.68 169.73 20.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.773 ' HD2' HD11 ' A' ' 49' ' ' ILE . 4.2 pttt -163.07 151.53 14.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.66 ' C ' HD12 ' A' ' 49' ' ' ILE . 24.0 tp -104.38 122.82 46.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.773 HD11 ' HD2' ' A' ' 47' ' ' LYS . 1.7 mp -107.34 122.19 61.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.454 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 24.8 ttm180 -127.36 111.61 14.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 11.4 t-20 79.1 -0.65 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.08 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.8 -13.15 22.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -99.44 148.08 24.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.74 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.5 t -86.21 136.32 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.359 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.61 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -110.29 -43.23 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.73 ' HB2' HG21 ' A' ' 88' ' ' VAL . 66.1 t90 -126.82 135.33 50.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 107.986 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.79 129.64 28.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 153.53 -159.57 28.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.4 p -101.05 159.44 15.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 0.743 . . . . 0.0 109.965 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.523 ' HG ' ' CD1' ' A' ' 46' ' ' PHE . 88.6 mt -81.67 163.73 22.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 25.7 p -109.56 -23.78 11.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -160.99 156.5 24.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.476 ' HB3' ' CG ' ' A' ' 42' ' ' ARG . 1.2 tp -165.62 128.82 2.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -138.7 146.53 41.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.57 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.572 ' CG2' HD11 ' A' ' 73' ' ' ILE . 10.4 tt -90.17 166.38 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.6 t -115.98 -38.47 3.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.009 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.2 t -106.59 143.58 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.572 HD11 ' CG2' ' A' ' 70' ' ' ILE . 46.1 mm -127.49 114.88 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -73.11 -177.88 2.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 43.5 m -78.34 143.96 36.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.373 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.96 3.6 88.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.3 mmm -97.4 129.83 44.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.783 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.41 138.23 31.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 27.0 p -153.36 160.9 42.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 108.306 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -121.16 134.78 10.31 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 pp -121.39 161.81 21.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.776 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.2 p -138.8 143.7 39.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.018 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.659 HD22 ' CE3' ' A' ' 56' ' ' TRP . 8.8 mt -98.74 143.33 29.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.64 -45.82 90.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 86' ' ' GLU . 8.8 tp10 -44.79 -63.6 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.532 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER 88.88 -17.69 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.254 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.34 -25.3 27.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.73 HG21 ' HB2' ' A' ' 56' ' ' TRP . 94.9 t -78.85 106.87 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -91.42 137.5 32.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.77 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 1.6 m-85 -86.79 -178.13 6.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.616 ' CA ' HG21 ' A' ' 18' ' ' THR . 0.1 OUTLIER -165.1 155.15 11.94 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 93.34 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.538 1.809 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 151.3 -20.58 0.94 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.437 ' OD1' ' CG ' ' A' ' 91' ' ' LYS . 70.8 m-20 -67.69 -175.12 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -137.8 160.19 39.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.412 ' C ' HD12 ' A' ' 97' ' ' ILE . 24.8 t -137.47 100.0 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.637 ' N ' HD12 ' A' ' 97' ' ' ILE . 1.3 mp -87.9 115.08 27.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.2 t -96.12 98.22 10.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 108.328 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.1 p90 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.874 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.985 HD12 ' HA ' ' A' ' 99' ' ' TYR . 4.2 mt -67.35 -46.95 82.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -152.03 137.94 6.21 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.421 ' HG2' HD12 ' A' ' 97' ' ' ILE . 6.4 mp0 -117.27 121.25 40.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 0.736 . . . . 0.0 110.257 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.488 ' HB2' HD11 ' A' ' 40' ' ' LEU . . . -111.05 151.35 28.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.0 132.26 53.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.701 HD13 ' HB3' ' A' ' 90' ' ' PHE . 71.7 mt -75.9 119.6 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.678 HD11 ' CB ' ' A' ' 34' ' ' ARG . 8.8 mt -95.33 -35.39 11.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.23 155.65 43.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.682 HG21 ' CA ' ' A' ' 91' ' ' LYS . 42.8 p -137.27 141.57 41.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.428 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.639 ' CE1' ' CG1' ' A' ' 30' ' ' VAL . 13.3 p90 -158.79 179.0 9.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.549 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.5 m -125.19 163.55 22.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.387 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.67 HG22 HG23 ' A' ' 30' ' ' VAL . 7.0 m -139.62 158.18 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.3 m -107.8 137.89 45.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.37 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.43 ' HG3' ' CG1' ' A' ' 28' ' ' ILE . 1.2 mm-40 -134.03 99.05 4.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.06 -50.87 4.01 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.477 1.11 . . . . 0.0 111.014 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -169.71 -42.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 0.781 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.642 ' HE3' HD11 ' A' ' 28' ' ' ILE . 23.8 ttpt -71.27 163.0 28.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.463 ' N ' ' CG ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -108.8 127.53 54.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.642 HD11 ' HE3' ' A' ' 26' ' ' LYS . 26.6 mm -104.72 125.25 34.42 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.549 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.4 Cg_endo -75.0 122.7 7.37 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.67 HG23 HG22 ' A' ' 21' ' ' VAL . 78.9 t -113.28 158.03 13.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.74 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -143.52 123.41 13.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.92 120.06 37.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.6 p -131.58 149.36 52.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 108.287 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.678 ' CB ' HD11 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -111.97 120.83 43.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.48 HG21 HG22 ' A' ' 73' ' ' ILE . 75.7 t -56.12 109.6 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -86.75 -41.78 13.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -144.6 135.0 24.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.69 -156.43 36.68 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -141.09 165.38 27.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.488 HD11 ' HB2' ' A' ' 13' ' ' ALA . 72.5 mt -117.2 124.73 49.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.254 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -110.72 142.71 42.27 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.52 1.137 . . . . 0.0 110.247 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.75 68.56 7.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.352 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -169.53 -54.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.611 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -53.46 176.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.477 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.5 OUTLIER -94.66 172.14 8.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 45.0 m-85 -147.78 174.35 11.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.404 ' CE ' ' HB ' ' A' ' 97' ' ' ILE . 5.0 pttt -161.94 144.83 11.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.741 HD23 HG13 ' A' ' 55' ' ' ILE . 14.1 tp -104.17 112.81 25.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.66 ' N ' HD12 ' A' ' 49' ' ' ILE . 2.7 mp -102.29 120.7 52.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.455 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 8.9 ttm180 -125.95 111.58 14.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 4.6 t30 78.91 1.52 2.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.99 -14.47 26.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -99.79 148.19 24.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.3 t -86.71 137.67 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.741 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -111.89 -41.9 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.921 ' CG ' HD13 ' A' ' 83' ' ' LEU . 38.1 t90 -131.66 138.45 48.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 107.957 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.27 137.55 39.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 142.86 -162.64 27.43 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.488 1.118 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.0 m -98.65 156.25 16.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.768 . . . . 0.0 110.044 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.2 mt -82.04 160.27 23.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.9 p -95.32 -17.14 21.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.388 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.9 m -161.03 167.39 26.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.009 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.3 tp -169.92 106.57 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -120.48 169.29 10.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.518 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 1.4 t60 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.558 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.609 HG21 HD11 ' A' ' 73' ' ' ILE . 7.1 tt -95.98 169.68 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.6 t -117.28 -37.21 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.982 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.1 t -120.91 137.21 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.609 HD11 HG21 ' A' ' 70' ' ' ILE . 9.9 mm -116.07 128.01 73.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -85.36 177.13 7.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.1 m -75.71 140.93 42.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.375 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.415 ' HA2' ' NE ' ' A' ' 34' ' ' ARG . . . 84.63 -4.2 85.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.2 mmm -93.79 130.94 39.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 111.029 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.419 ' O ' ' ND1' ' A' ' 65' ' ' HIS . 3.1 m-20 -83.38 144.49 29.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 10.1 p -157.62 154.35 28.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 108.291 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -118.48 144.59 18.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.555 1.16 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.1 pp -139.38 164.25 30.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 43.8 p -149.75 146.51 27.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.011 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.921 HD13 ' CG ' ' A' ' 56' ' ' TRP . 3.5 mt -99.13 138.66 35.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -47.35 -29.65 2.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -85.26 134.93 34.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.345 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.88 -22.81 17.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.332 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -57.7 -45.09 86.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.639 ' CG1' HD12 ' A' ' 83' ' ' LEU . 8.9 p -68.55 126.32 28.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.36 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.421 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 19.7 tt0 -121.47 132.7 54.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.74 ' CD2' ' HB2' ' A' ' 31' ' ' ALA . 1.5 m-85 -82.95 -179.57 7.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.682 ' CA ' HG21 ' A' ' 18' ' ' THR . 16.3 mtmt -166.48 157.16 11.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 54.61 3.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.513 1.797 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.74 33.34 0.08 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 0.4 OUTLIER -116.3 -168.0 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -145.85 145.78 30.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.274 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 18.2 t -129.42 98.28 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.421 HD12 ' HG2' ' A' ' 12' ' ' GLU . 21.9 mm -88.75 126.59 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 8.4 t -108.66 100.34 9.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 108.329 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.985 ' HA ' HD12 ' A' ' 10' ' ' ILE . 41.8 p90 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.0 mt -73.9 -45.91 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -168.97 152.37 19.95 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.411 ' CG ' HD12 ' A' ' 97' ' ' ILE . 1.4 mp0 -112.75 126.75 55.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 0.734 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.43 164.9 12.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.19 130.25 40.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.964 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.801 HD13 ' HB3' ' A' ' 90' ' ' PHE . 30.0 mt -73.98 115.47 15.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.622 HD11 ' HB2' ' A' ' 34' ' ' ARG . 23.6 mt -89.9 -35.92 15.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -148.45 158.33 44.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.527 HG21 ' CA ' ' A' ' 91' ' ' LYS . 25.9 p -140.45 141.22 35.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -160.91 177.04 10.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.495 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.7 m -115.04 163.37 15.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.384 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.598 HG22 ' O ' ' A' ' 28' ' ' ILE . 6.0 m -134.02 158.96 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.8 m -116.84 135.88 53.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.453 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.497 ' HG3' HD13 ' A' ' 28' ' ' ILE . 2.2 mm-40 -138.71 99.31 3.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.9 -49.17 4.03 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -173.14 -44.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.77 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 170.74 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.96 103.31 6.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.598 ' O ' HG22 ' A' ' 21' ' ' VAL . 3.3 mp -90.3 129.31 45.96 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.495 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.3 Cg_endo -75.0 140.57 25.61 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.527 HG23 HG22 ' A' ' 21' ' ' VAL . 42.2 t -129.26 147.82 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.863 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -133.23 114.07 13.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.76 117.47 23.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.8 p -129.65 151.6 50.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 108.328 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.622 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -114.59 124.05 50.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.047 HG22 HD13 ' A' ' 40' ' ' LEU . 79.4 t -63.33 104.11 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -80.12 -41.21 25.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -137.4 146.84 44.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.581 1.175 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.25 -128.56 11.72 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.533 1.146 . . . . 0.0 111.032 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.742 ' HA ' HG11 ' A' ' 35' ' ' VAL . 6.3 pt20 -161.1 164.68 30.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 0.727 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.047 HD13 HG22 ' A' ' 35' ' ' VAL . 4.8 mp -114.1 123.97 50.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.865 ' O ' HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -96.21 -179.99 4.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.13 -35.75 6.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.275 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -90.06 -43.85 10.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.578 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -41.02 157.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -84.56 166.72 16.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.56 ' CD1' ' HG ' ' A' ' 60' ' ' LEU . 91.0 m-85 -151.6 178.27 9.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.485 ' HE2' ' CE1' ' A' ' 99' ' ' TYR . 3.0 pttt -163.64 148.29 10.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.576 ' C ' HD12 ' A' ' 49' ' ' ILE . 35.7 tp -103.78 119.61 39.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.719 ' N ' HD12 ' A' ' 49' ' ' ILE . 2.0 mp -104.98 123.93 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 16.6 ttm180 -131.81 111.86 11.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 1.4 t-20 81.98 -1.22 1.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.63 -10.79 28.01 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.494 1.121 . . . . 0.0 110.934 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -104.14 147.87 26.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 0.79 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 t -83.31 140.81 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.504 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -114.32 -41.5 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.826 ' CG ' HD13 ' A' ' 83' ' ' LEU . 63.9 t90 -126.43 138.17 53.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.014 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.427 ' CD ' ' N ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -138.04 133.42 33.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 149.83 -140.89 8.37 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 p -124.22 149.22 46.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.762 . . . . 0.0 110.015 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.723 ' CD2' HD13 ' A' ' 81' ' ' LEU . 25.8 mt -69.17 154.8 41.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 82.7 p -91.86 -19.0 22.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.39 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.9 m -167.21 158.05 11.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.865 HD22 ' O ' ' A' ' 41' ' ' GLU . 15.4 tp -156.64 102.87 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -114.48 142.1 46.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.565 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.431 ' CG2' HD11 ' A' ' 73' ' ' ILE . 17.1 tt -88.32 163.15 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.4 t -114.93 -33.81 5.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.945 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.0 t -111.3 145.11 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.431 HD11 ' CG2' ' A' ' 70' ' ' ILE . 6.7 mm -129.22 113.51 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -70.2 173.75 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.8 m -72.1 131.41 42.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.7 2.12 63.3 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.9 mmm -101.55 134.56 44.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 0.782 . . . . 0.0 111.015 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -86.79 149.59 24.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 12.2 p -163.23 154.08 16.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 108.328 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -118.26 133.87 10.63 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.723 HD13 ' CD2' ' A' ' 60' ' ' LEU . 4.6 pp -125.58 160.68 28.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.6 m -145.3 134.55 22.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.826 HD13 ' CG ' ' A' ' 56' ' ' TRP . 6.0 mt -87.23 144.02 27.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -57.16 -20.56 27.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -95.24 131.72 40.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -90.01 -26.83 20.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.278 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.4 mtmm -53.91 -45.8 71.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.637 ' CG1' HD12 ' A' ' 83' ' ' LEU . 9.3 p -66.96 135.25 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -128.88 138.28 51.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.863 ' CD2' ' HB2' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -91.0 -176.02 4.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.977 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.527 ' CA ' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -174.07 158.37 2.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 18.2 Cg_endo -75.02 55.47 3.97 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.532 1.806 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.47 34.23 0.09 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -124.2 -178.95 4.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -130.94 151.47 51.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.4 t -127.97 99.31 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.411 HD12 ' CG ' ' A' ' 12' ' ' GLU . 20.5 mm -88.83 116.52 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.544 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 10.5 t -97.64 98.72 10.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 108.342 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.485 ' CE1' ' HE2' ' A' ' 47' ' ' LYS . 18.9 p90 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.36 128.86 38.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 0.768 . . . . 0.0 110.014 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.17 114.51 28.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.103 . . . . 0.0 109.992 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.96 125.36 0.82 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.416 1.072 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -82.86 171.12 14.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 110.003 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.6 t -75.95 109.39 9.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.77 -140.61 3.19 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -160.0 153.49 18.87 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.464 ' HB3' ' CG2' ' A' ' 97' ' ' ILE . 18.3 Cg_endo -75.04 131.68 14.52 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.503 1.791 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.3 mt -77.89 -44.34 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -165.31 143.62 8.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.545 ' CG ' HD12 ' A' ' 97' ' ' ILE . 1.4 mp0 -103.03 134.75 45.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.29 135.95 50.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 11.6 m -106.25 145.21 31.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.469 ' CG2' HG22 ' A' ' 18' ' ' THR . 37.3 mt -88.0 117.11 31.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.748 HD11 ' HB2' ' A' ' 34' ' ' ARG . 8.0 mt -90.32 -36.65 14.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.37 159.89 42.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.523 HG21 ' CA ' ' A' ' 91' ' ' LYS . 29.8 p -140.2 134.81 31.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 110.383 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.43 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 10.8 p90 -154.07 176.92 11.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.725 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.7 m -117.42 162.88 17.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.636 HG22 HG23 ' A' ' 30' ' ' VAL . 5.7 m -134.66 159.3 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.1 m -114.8 138.9 50.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.404 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -140.32 99.33 3.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.23 -48.16 3.98 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -174.67 -46.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.53 170.31 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -127.34 99.43 5.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.486 ' O ' HG22 ' A' ' 21' ' ' VAL . 3.4 mp -90.18 126.42 56.99 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.725 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.3 Cg_endo -75.02 145.62 31.58 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.548 1.815 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.636 HG23 HG22 ' A' ' 21' ' ' VAL . 47.5 t -130.65 150.55 34.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.432 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -129.2 117.22 20.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.61 119.94 30.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 14' ' ' SER . 5.2 p -132.37 146.64 52.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 108.288 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.748 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -109.55 116.81 32.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.0 t -55.42 113.81 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -89.42 -33.23 16.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.324 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -151.71 136.08 16.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.53 -153.05 36.45 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -146.42 172.32 13.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 110.338 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 72' ' ' VAL . 71.7 mt -117.11 124.54 49.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.1 122.42 46.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.475 ' HG2' HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -70.87 77.56 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.311 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -178.51 -51.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.653 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -57.11 -172.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.554 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 2.9 mmtp -100.83 163.37 12.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.554 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 7.0 m-85 -143.38 173.65 11.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.677 ' HD2' HD11 ' A' ' 49' ' ' ILE . 17.8 pttt -163.6 149.31 11.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.711 HD23 HG13 ' A' ' 55' ' ' ILE . 28.2 tp -104.1 119.6 39.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.707 ' N ' HD12 ' A' ' 49' ' ' ILE . 2.3 mp -105.86 117.78 52.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 9.4 ttm180 -124.46 111.87 16.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.26 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.471 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 22.6 t30 80.11 -0.83 2.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.46 -14.62 22.72 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.545 1.153 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -99.02 147.55 24.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 0.742 . . . . 0.0 110.272 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 t -86.42 138.19 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.711 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -111.21 -42.2 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.849 ' CG ' HD13 ' A' ' 83' ' ' LEU . 54.5 t90 -128.26 137.71 52.11 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.71 124.94 21.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.499 ' O ' ' CH2' ' A' ' 56' ' ' TRP . . . 151.64 -164.33 30.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -95.49 146.52 24.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.816 HD22 ' HB2' ' A' ' 81' ' ' LEU . 3.8 mt -65.28 171.22 3.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.406 HG21 ' HB2' ' A' ' 84' ' ' ASP . 27.0 p -106.69 -27.73 10.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 m -161.11 151.56 17.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 109.994 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.475 HD22 ' HG2' ' A' ' 42' ' ' ARG . 12.6 tp -147.44 136.81 22.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -144.88 149.65 35.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 42.2 t60 -112.79 50.33 0.88 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.615 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 67' ' ' LYS . 1.4 m-70 62.41 103.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.6 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 66' ' ' HIS . 24.9 ttmt 40.02 70.29 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 169.9 101.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.99 82.76 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.624 ' CG2' HD11 ' A' ' 73' ' ' ILE . 11.0 tt -91.74 170.67 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.4 m -115.58 -43.19 3.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.996 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 4.7 t -114.77 143.49 24.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.624 HD11 ' CG2' ' A' ' 70' ' ' ILE . 31.2 mm -118.22 111.94 36.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -72.03 -176.77 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.9 m -77.13 145.13 37.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.376 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.41 8.13 87.67 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.546 1.154 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -102.31 131.77 48.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.757 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.61 132.15 37.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 21.1 p -145.32 157.66 44.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 108.281 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -123.49 125.58 5.95 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.816 ' HB2' HD22 ' A' ' 60' ' ' LEU . 4.6 pp -114.85 150.8 34.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 0.753 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.3 m -130.93 134.44 46.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.999 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.849 HD13 ' CG ' ' A' ' 56' ' ' TRP . 20.9 mt -89.47 151.19 22.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.406 ' HB2' HG21 ' A' ' 61' ' ' THR . 4.6 t70 -71.54 -30.03 65.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.95 73.31 10.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -38.83 -34.5 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -43.59 -48.54 7.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.82 HG21 ' HB2' ' A' ' 56' ' ' TRP . 87.4 t -59.59 140.89 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -127.72 147.29 50.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.453 ' HB3' HD13 ' A' ' 15' ' ' ILE . 0.9 OUTLIER -106.03 -175.42 2.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.523 ' CA ' HG21 ' A' ' 18' ' ' THR . 3.2 pttt -175.15 159.34 2.21 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 56.03 4.09 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.798 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -175.26 33.6 0.1 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.444 1.09 . . . . 0.0 111.04 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.476 ' OD1' ' CG ' ' A' ' 91' ' ' LYS . 13.0 m-20 -121.2 -171.82 2.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -143.44 148.14 35.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 17.2 t -126.09 98.35 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.545 HD12 ' CG ' ' A' ' 12' ' ' GLU . 11.7 mm -94.99 123.51 47.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.7 t -105.7 95.22 5.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 108.303 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -107.51 169.36 8.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -109.04 136.7 48.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -110.82 115.24 29.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -179.15 -66.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.38 -170.72 3.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.653 HG23 ' HD2' ' A' ' 105' ' ' PRO . 3.5 p -125.82 142.25 41.65 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.653 ' HD2' HG23 ' A' ' 104' ' ' VAL . 18.2 Cg_endo -75.02 -177.65 3.62 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.434 HG23 HG23 ' A' ' 108' ' ' THR . 0.8 OUTLIER -110.87 -30.02 7.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.341 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 57.81 103.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.434 HG23 HG23 ' A' ' 106' ' ' THR . 14.7 p -136.0 71.55 1.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.404 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 81.0 p -179.71 125.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.01 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -136.35 117.14 14.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -174.28 115.51 0.32 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 175.33 11.39 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.494 1.786 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 170.06 117.94 0.44 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.579 1.175 . . . . 0.0 110.992 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -133.01 164.3 27.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 0.732 . . . . 0.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.45 133.6 1.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.983 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 174.65 73.99 0.05 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.477 1.11 . . . . 0.0 111.029 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 172.84 15.58 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.37 145.25 33.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 68.9 m -148.15 161.72 40.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.985 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.535 1.147 . . . . 0.0 111.021 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.86 128.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.973 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.1 t -139.95 163.14 33.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 110.014 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.7 114.54 0.89 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.6 m -139.25 111.39 7.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.76 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -129.16 123.51 32.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.017 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.91 -173.37 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -112.2 155.7 43.12 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.475 0.75 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.39 12.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.472 1.775 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.6 mt -68.64 -44.31 82.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -170.62 149.12 12.14 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -103.41 152.88 21.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.551 ' HB2' HD21 ' A' ' 40' ' ' LEU . . . -141.06 137.68 33.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.412 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 23.0 m -107.53 147.66 30.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.021 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.634 HD13 ' HB3' ' A' ' 90' ' ' PHE . 57.8 mt -91.93 121.03 42.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.798 HD11 ' HB2' ' A' ' 34' ' ' ARG . 10.0 mt -94.44 -39.1 10.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.02 155.8 44.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.615 HG21 ' CA ' ' A' ' 91' ' ' LYS . 33.9 p -135.49 135.55 40.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.415 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.552 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 13.7 p90 -153.39 -177.39 6.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.711 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.6 m -124.26 162.94 22.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.408 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.659 HG22 HG23 ' A' ' 30' ' ' VAL . 6.0 m -133.63 159.17 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.9 m -114.52 139.41 49.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.376 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.411 ' HG3' HD13 ' A' ' 28' ' ' ILE . 3.1 mm-40 -139.94 99.35 3.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.78 -53.74 4.34 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -164.88 -46.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 0.794 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 168.74 3.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -130.0 107.27 9.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.562 ' H ' HD12 ' A' ' 28' ' ' ILE . 4.0 mp -90.94 129.34 44.5 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.711 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.3 Cg_endo -74.97 132.0 14.96 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.526 1.803 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.659 HG23 HG22 ' A' ' 21' ' ' VAL . 43.7 t -117.75 152.98 19.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.908 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -133.32 116.85 16.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.24 113.52 23.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 14' ' ' SER . 2.4 p -125.76 149.72 48.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 108.297 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.798 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -110.7 124.7 52.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.579 HG22 ' HG ' ' A' ' 40' ' ' LEU . 46.0 t -62.42 111.68 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.539 1.15 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -89.8 -32.42 16.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.8 pttt -148.22 150.19 33.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.9 -138.77 44.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.459 ' OE1' HG13 ' A' ' 72' ' ' VAL . 1.3 pt20 -148.65 173.62 13.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 0.794 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.579 ' HG ' HG22 ' A' ' 35' ' ' VAL . 71.8 mt -117.25 124.59 49.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.574 ' O ' HD22 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -88.98 178.75 6.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.12 -56.74 2.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -73.09 -36.88 66.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.643 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.516 ' CG ' ' CB ' ' A' ' 41' ' ' GLU . 38.4 mmtt -42.09 162.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.568 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -93.36 158.72 15.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.568 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 25.0 m-85 -148.17 177.71 9.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.489 ' HG3' HD11 ' A' ' 49' ' ' ILE . 21.5 pttt -162.46 154.24 18.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.643 HD23 HG13 ' A' ' 55' ' ' ILE . 18.1 tp -104.48 119.17 38.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.751 ' N ' HD12 ' A' ' 49' ' ' ILE . 2.1 mp -106.96 117.13 52.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.432 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 12.0 ttp85 -124.67 113.17 17.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 0.9 OUTLIER 77.19 6.7 3.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.31 -13.45 48.0 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.42 1.075 . . . . 0.0 110.969 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -97.87 150.98 20.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 0.808 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 t -93.06 129.2 43.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.643 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -103.09 -39.96 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.821 ' CE3' HD22 ' A' ' 83' ' ' LEU . 54.2 t90 -128.78 136.61 50.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 108.003 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.91 131.53 31.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 153.29 -143.13 9.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 p -119.48 148.62 43.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 0.784 . . . . 0.0 109.997 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.808 HD22 HD13 ' A' ' 81' ' ' LEU . 12.3 mt -70.44 154.01 42.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.9 p -96.83 -26.57 15.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 110.367 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.3 m -146.16 167.67 22.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.574 HD22 ' O ' ' A' ' 41' ' ' GLU . 8.5 tp -174.75 107.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -126.86 155.1 43.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.49 ' O ' ' CG ' ' A' ' 65' ' ' HIS . 1.2 t60 -100.56 77.6 1.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.607 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.1 t60 78.41 -59.17 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.596 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -162.0 53.17 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -159.41 128.1 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.14 82.39 2.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.708 HG21 HD11 ' A' ' 73' ' ' ILE . 6.5 tt -95.8 168.9 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.6 m -116.35 -36.05 4.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.974 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.459 HG13 ' OE1' ' A' ' 39' ' ' GLN . 2.9 t -119.87 135.67 59.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.708 HD11 HG21 ' A' ' 70' ' ' ILE . 14.5 mm -116.65 119.77 62.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -73.44 -177.57 2.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.7 m -78.91 145.85 33.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 75.67 3.35 72.49 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.7 mmm -96.3 130.91 43.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.68 143.56 27.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.449 ' SG ' HD12 ' A' ' 40' ' ' LEU . 23.4 p -159.19 158.24 32.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 108.352 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -123.99 130.09 7.47 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.808 HD13 HD22 ' A' ' 60' ' ' LEU . 4.6 pp -120.05 159.56 24.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.735 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 43.8 p -138.1 147.67 44.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.982 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.821 HD22 ' CE3' ' A' ' 56' ' ' TRP . 9.0 mt -99.42 148.31 24.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -59.11 -20.29 52.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -98.81 134.75 41.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.333 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -91.93 -29.92 16.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.54 -43.66 65.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.53 ' CG1' HD12 ' A' ' 83' ' ' LEU . 12.5 p -67.43 128.79 31.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -124.68 132.07 53.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.908 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 1.3 m-85 -83.03 168.35 17.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.615 ' CA ' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -153.13 157.81 32.92 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.354 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 55.17 3.85 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.77 34.07 0.08 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.442 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 0.1 OUTLIER -119.64 -168.81 1.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 109.295 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -142.72 153.76 43.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.8 t -134.76 99.95 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.62 ' N ' HD12 ' A' ' 97' ' ' ILE . 1.3 mp -87.06 120.12 35.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.439 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 12.2 t -100.55 100.16 10.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 108.306 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.4 p90 -126.77 174.01 9.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -119.99 144.91 47.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.338 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.58 83.64 6.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -179.09 163.74 1.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -134.58 120.47 19.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.8 m -130.9 154.47 81.97 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 107.0 2.38 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.494 1.786 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.0 t -150.39 146.8 26.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.357 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -123.96 116.86 23.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.346 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.3 t -120.75 152.47 38.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.142 . . . . 0.0 110.369 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 94.2 p -139.61 81.25 1.82 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.962 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -137.48 84.78 2.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 108.014 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.6 p-10 -61.06 141.09 93.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 113.17 3.73 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 178.98 65.55 0.07 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.13 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -122.16 117.97 27.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.7 m -145.55 102.72 3.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.985 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 170.84 68.77 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 156.36 43.02 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.528 1.804 . . . . 0.0 111.013 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.0 t -173.56 -59.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 17.8 p -169.58 132.78 1.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.962 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.422 1.076 . . . . 0.0 110.98 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.71 -59.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 0.743 . . . . 0.0 110.027 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.9 148.86 50.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.965 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.73 92.99 2.29 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.97 -56.77 3.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 0.784 . . . . 0.0 109.958 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.0 m -82.77 -59.53 2.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.025 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.88 -122.33 0.69 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.472 1.107 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -152.58 162.13 27.32 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 126.07 9.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.79 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.729 HD12 ' HA ' ' A' ' 99' ' ' TYR . 5.6 mt -70.76 -48.55 56.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -158.83 144.25 10.12 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -108.81 141.79 40.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 110.329 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.4 144.25 51.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 1.3 m -114.75 139.62 49.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.027 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.588 HD13 ' HB3' ' A' ' 90' ' ' PHE . 51.9 mt -86.05 120.48 36.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.592 HD11 ' HB2' ' A' ' 34' ' ' ARG . 13.2 mt -95.68 -35.32 11.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -145.09 160.38 41.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.451 HG22 ' CG2' ' A' ' 15' ' ' ILE . 29.9 p -145.69 136.75 24.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.374 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.505 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 9.1 p90 -153.96 -178.94 7.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.2 m -118.55 163.65 16.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.44 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.663 HG22 ' O ' ' A' ' 28' ' ' ILE . 7.5 m -135.36 158.67 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 2.4 m -122.6 125.47 45.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.345 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.536 ' HG2' HD13 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -151.67 98.97 2.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.89 54.73 3.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? 51.64 26.89 3.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 109.257 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 22' ' ' THR . 15.1 mtpt -114.76 163.25 15.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.47 92.31 3.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.663 ' O ' HG22 ' A' ' 21' ' ' VAL . 3.6 mp -95.69 118.98 65.77 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 117.74 5.03 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 111.005 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.526 HG23 HG22 ' A' ' 21' ' ' VAL . 78.1 t -100.6 157.41 4.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.632 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -138.66 118.33 13.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.07 122.76 35.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 14' ' ' SER . 5.5 p -133.4 156.9 46.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 108.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.592 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -115.21 121.15 42.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.596 HG21 HG22 ' A' ' 73' ' ' ILE . 23.8 t -54.21 117.75 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -95.36 -30.27 14.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt -155.22 143.07 19.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.66 -149.05 51.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.475 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 8.1 pt20 -143.29 175.82 9.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 67.7 mt -117.46 124.4 48.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' HIS . 33.4 mt-10 -107.57 118.1 35.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.448 ' CG ' ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -64.63 75.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.338 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' GLU . 2.0 t60 179.03 -47.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.575 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -53.59 -179.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 46' ' ' PHE . 2.7 tttt -98.35 140.34 32.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.438 ' CD2' HD11 ' A' ' 60' ' ' LEU . 12.0 m-85 -124.41 169.88 11.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -163.61 150.13 11.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.749 HD23 HG13 ' A' ' 55' ' ' ILE . 27.2 tp -104.12 120.34 40.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.744 ' N ' HD12 ' A' ' 49' ' ' ILE . 2.0 mp -107.19 115.79 49.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.472 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 7.7 ttm180 -124.0 112.86 17.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 9.8 t-20 79.88 -0.06 2.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.4 -14.79 25.22 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.544 1.152 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -98.59 148.06 24.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 0.765 . . . . 0.0 110.313 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.522 HG22 HG13 ' A' ' 49' ' ' ILE . 24.3 t -88.96 131.45 36.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.749 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -103.96 -39.71 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.905 ' CG ' HD13 ' A' ' 83' ' ' LEU . 63.8 t90 -131.03 135.03 47.22 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.84 115.0 10.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.456 ' O ' ' CH2' ' A' ' 56' ' ' TRP . . . 165.73 -164.55 37.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.0 m -95.84 152.72 18.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 110.015 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.664 ' CD2' HD13 ' A' ' 81' ' ' LEU . 11.3 mt -75.03 158.25 33.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.357 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 58.0 p -97.53 -25.57 15.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.402 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.77 154.87 26.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.975 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.448 ' HB3' ' CG ' ' A' ' 42' ' ' ARG . 9.9 tp -154.78 126.91 7.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -139.7 152.28 46.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.585 ' CD2' ' O ' ' A' ' 78' ' ' ASP . 43.7 t-80 -100.86 67.05 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.593 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 79.88 -60.3 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.562 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.5 76.29 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 171.68 126.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.17 82.78 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.656 HG21 HD11 ' A' ' 73' ' ' ILE . 10.8 tt -94.36 171.15 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.9 t -118.24 -41.47 2.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.6 t -111.55 145.13 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.656 HD11 HG21 ' A' ' 70' ' ' ILE . 15.4 mm -127.56 119.72 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -82.56 179.94 7.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 33.3 m -74.87 147.14 41.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.98 -2.11 76.52 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.115 . . . . 0.0 110.967 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 84.6 mtp -100.22 127.93 46.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.585 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 5.6 m-20 -84.79 146.1 27.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.411 ' SG ' HG21 ' A' ' 73' ' ' ILE . 10.1 p -155.24 154.79 32.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 108.291 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -121.68 133.78 9.63 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.531 1.145 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.664 HD13 ' CD2' ' A' ' 60' ' ' LEU . 4.2 pp -126.0 148.24 49.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.776 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.436 ' OG ' HG22 ' A' ' 30' ' ' VAL . 3.7 m -129.02 135.34 48.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.905 HD13 ' CG ' ' A' ' 56' ' ' TRP . 24.6 mt -87.37 153.25 21.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.07 -28.2 64.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.44 85.09 5.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -49.0 -24.67 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.01 -45.58 64.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.716 HG11 ' HB2' ' A' ' 56' ' ' TRP . 61.9 t -67.43 126.83 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -118.12 130.58 56.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.27 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.632 ' CD2' ' HB2' ' A' ' 31' ' ' ALA . 2.4 m-85 -79.56 -164.5 0.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.44 ' N ' HG21 ' A' ' 18' ' ' THR . 0.8 OUTLIER 178.24 154.19 0.5 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 54.88 3.79 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.36 33.86 0.09 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -120.68 -170.81 2.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 0.77 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -142.74 150.31 39.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.4 t -130.35 98.3 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.562 ' N ' HD12 ' A' ' 97' ' ' ILE . 1.5 mp -88.84 117.75 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 8.5 t -97.81 101.94 13.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.251 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.729 ' HA ' HD12 ' A' ' 10' ' ' ILE . 3.0 p90 -143.09 176.2 9.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -122.97 133.16 54.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.555 ' HG3' ' CE2' ' A' ' 99' ' ' TYR . 3.4 mt-10 -94.2 87.26 5.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -151.69 126.56 9.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -75.14 118.84 18.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.565 HG23 ' HD2' ' A' ' 105' ' ' PRO . 2.6 p -147.63 139.51 13.94 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.565 ' HD2' HG23 ' A' ' 104' ' ' VAL . 18.2 Cg_endo -75.05 135.98 19.69 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.47 1.774 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.7 t -167.45 152.74 7.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.368 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.45 102.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.7 m -156.91 137.45 13.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.376 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.7 t -80.2 -55.58 4.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.989 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 69.85 162.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -133.6 145.82 57.87 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 117.02 4.76 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.507 1.793 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -173.15 104.37 0.2 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.105 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -157.31 140.71 15.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 0.781 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.55 111.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -128.37 -145.27 6.0 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.112 . . . . 0.0 111.031 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 178.46 7.21 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.04 -61.2 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.996 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 38.1 t -136.36 134.84 38.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.1 m 60.97 86.46 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 0.749 . . . . 0.0 110.014 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.05 168.04 10.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.989 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.47 -124.83 0.73 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.1 p -92.56 124.64 36.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 110.019 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 p -168.7 125.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.75 -92.77 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 8' ' ' TYR . 10.6 p90 -156.01 156.84 30.93 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 111.048 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 127.48 10.69 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.447 1.762 . . . . 0.0 110.956 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 99' ' ' TYR . 5.9 mt -72.3 -45.31 61.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -168.46 140.53 6.24 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.493 1.121 . . . . 0.0 111.056 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -100.66 147.52 25.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 110.255 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -133.07 144.84 50.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -115.57 134.93 54.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.955 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.529 HD13 ' HB3' ' A' ' 90' ' ' PHE . 54.7 mt -82.64 125.12 39.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.5 mt -102.02 -36.67 8.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.78 148.76 41.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.748 HG21 ' CA ' ' A' ' 91' ' ' LYS . 69.4 p -133.85 134.55 42.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.396 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.456 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 10.3 p90 -155.08 177.55 11.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.958 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.583 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.7 m -119.03 162.88 17.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.597 HG22 HG23 ' A' ' 30' ' ' VAL . 6.9 m -134.91 157.91 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 55.8 m -114.74 141.52 47.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -143.91 99.34 3.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 110.318 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.37 -49.13 4.09 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -170.23 -54.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.76 170.47 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -128.78 108.44 10.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.568 ' O ' HG22 ' A' ' 21' ' ' VAL . 4.2 mp -89.62 126.35 58.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.583 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.2 Cg_endo -75.03 128.75 11.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.597 HG23 HG22 ' A' ' 21' ' ' VAL . 50.6 t -116.52 150.51 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.808 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -132.69 126.11 31.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.89 121.22 41.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 14' ' ' SER . 12.5 p -135.63 152.6 51.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 108.283 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -108.9 118.66 37.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.449 HG21 HG22 ' A' ' 73' ' ' ILE . 77.2 t -53.06 110.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.37 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -83.19 -39.79 20.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.7 pttp -147.2 142.24 27.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.98 -151.18 42.09 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.633 ' OE1' HG13 ' A' ' 72' ' ' VAL . 2.0 pt20 -140.96 175.97 9.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 0.0 110.299 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 63.8 mt -117.31 125.04 50.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -110.5 127.71 55.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.304 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.98 67.88 1.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -178.68 -49.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.544 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -49.23 176.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.509 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 1.3 mttt -93.7 150.58 20.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 98' ' ' CYS . 11.1 m-85 -142.26 170.83 14.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.555 ' HE3' ' CE1' ' A' ' 99' ' ' TYR . 4.8 ptpt -161.75 152.93 18.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.619 ' C ' HD12 ' A' ' 49' ' ' ILE . 32.1 tp -104.27 120.67 41.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.764 ' N ' HD12 ' A' ' 49' ' ' ILE . 2.1 mp -108.61 114.88 47.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.57 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 8.8 ttm180 -123.69 111.13 15.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.57 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 13.0 t-20 88.47 -24.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 136.42 -13.62 4.0 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -101.65 149.24 24.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 0.742 . . . . 0.0 110.309 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.467 HG21 ' HD3' ' A' ' 47' ' ' LYS . 5.8 t -87.33 133.32 30.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.43 HD13 ' N ' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -108.33 -42.01 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.929 ' CE3' HD22 ' A' ' 83' ' ' LEU . 82.0 t90 -124.59 135.8 53.43 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.06 118.83 14.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 159.16 -167.95 35.05 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 m -91.79 152.41 20.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 0.798 . . . . 0.0 109.991 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.583 HD22 ' HB2' ' A' ' 81' ' ' LEU . 4.8 mt -73.16 164.85 26.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.469 HG22 ' OD1' ' A' ' 84' ' ' ASP . 3.1 p -103.35 -29.11 11.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 110.389 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 m -154.85 157.72 38.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.1 tp -160.35 115.23 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -124.99 164.89 19.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.431 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 6.4 t60 -105.42 59.31 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.612 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 76.14 -66.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.541 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -140.49 65.6 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 t0 175.41 115.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.61 83.79 0.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.62 HG21 HD11 ' A' ' 73' ' ' ILE . 6.7 tt -95.28 170.98 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.8 m -115.23 -40.83 3.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.633 HG13 ' OE1' ' A' ' 39' ' ' GLN . 20.9 t -110.66 147.57 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.62 HD11 HG21 ' A' ' 70' ' ' ILE . 17.0 mm -131.93 110.52 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -63.28 -172.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.2 m -81.15 160.82 24.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.414 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 56.37 19.47 25.76 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.0 mmm -103.66 138.15 40.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 0.774 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.88 132.48 39.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.419 ' SG ' HG21 ' A' ' 73' ' ' ILE . 22.0 p -153.05 160.75 42.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 108.345 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -117.16 136.23 12.49 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.583 ' HB2' HD22 ' A' ' 60' ' ' LEU . 4.1 pp -131.49 161.79 31.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 40.9 t -143.56 153.17 42.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.929 HD22 ' CE3' ' A' ' 56' ' ' TRP . 9.6 mt -102.77 143.66 32.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.469 ' OD1' HG22 ' A' ' 61' ' ' THR . 6.4 m-20 -49.27 -29.38 5.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -90.19 134.2 34.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.413 ' OE1' ' N ' ' A' ' 86' ' ' GLU . 6.8 pm0 -91.07 -31.35 16.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -45.39 62.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.428 HG21 ' HB2' ' A' ' 56' ' ' TRP . 8.0 p -64.36 125.54 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -121.4 130.11 53.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.808 ' CD2' ' HB2' ' A' ' 31' ' ' ALA . 2.2 m-85 -79.78 -172.61 3.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.998 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.748 ' CA ' HG21 ' A' ' 18' ' ' THR . 2.0 pttt -174.73 158.09 2.32 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 57.18 4.51 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.526 1.803 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.75 34.14 0.08 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.503 ' OD1' ' CG ' ' A' ' 91' ' ' LYS . 12.4 m-20 -125.15 -173.59 2.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -140.83 152.49 45.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.344 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.9 t -131.58 98.35 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.562 ' N ' HD12 ' A' ' 97' ' ' ILE . 1.5 mp -88.19 117.9 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.571 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 13.9 t -97.27 97.9 9.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 108.289 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.555 ' CE1' ' HE3' ' A' ' 47' ' ' LYS . 3.5 p90 -139.9 175.35 9.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.96 165.01 13.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -88.31 -59.77 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.25 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 177.79 120.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.473 ' C ' HG23 ' A' ' 104' ' ' VAL . 0.0 OUTLIER -163.46 64.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.568 HG12 ' HD2' ' A' ' 105' ' ' PRO . 2.3 t 67.5 141.84 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.568 ' HD2' HG12 ' A' ' 104' ' ' VAL . 18.4 Cg_endo -74.99 144.58 30.45 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.8 p -108.81 75.63 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.371 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -164.07 129.32 2.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.502 HG23 ' H ' ' A' ' 109' ' ' SER . 0.2 OUTLIER -156.82 -56.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.43 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.502 ' H ' HG23 ' A' ' 108' ' ' THR . 0.2 OUTLIER -162.32 162.48 27.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.42 ' O ' ' CB ' ' A' ' 111' ' ' ASP . 4.0 t-105 -172.57 116.17 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 107.979 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.509 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 0.0 OUTLIER 161.98 -51.72 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 111' ' ' ASP . 18.2 Cg_endo -75.03 150.19 37.65 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.513 1.796 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 148.27 82.77 0.04 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.522 1.138 . . . . 0.0 110.971 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -134.47 158.21 44.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 0.73 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.43 138.85 40.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.984 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -118.1 85.43 0.39 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 111.053 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 160.67 40.01 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.7 t -137.81 137.74 38.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 109.945 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.35 102.97 11.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.005 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.546 1.154 . . . . 0.0 111.017 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.942 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -159.35 149.67 19.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 0.744 . . . . 0.0 109.979 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -94.91 121.99 37.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.0 -133.52 1.68 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 m 60.23 168.12 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 0.769 . . . . 0.0 110.027 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.45 123.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.003 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.5 98.96 0.33 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.497 1.123 . . . . 0.0 111.041 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -67.58 151.36 97.23 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.454 0.737 . . . . 0.0 110.966 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 129.86 12.75 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.448 1.762 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.67 HG21 ' OE2' ' A' ' 41' ' ' GLU . 7.1 mt -73.1 -41.54 59.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 179.56 139.89 3.88 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.441 ' HG3' HD13 ' A' ' 97' ' ' ILE . 1.6 tt0 -100.65 129.27 46.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.76 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.58 147.36 36.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.64 135.42 54.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.065 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.492 HD13 ' HB3' ' A' ' 90' ' ' PHE . 44.9 mt -80.05 120.0 30.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.519 HD11 ' HB2' ' A' ' 34' ' ' ARG . 31.0 mt -93.2 -38.98 11.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.01 155.24 43.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.477 HG22 HG21 ' A' ' 15' ' ' ILE . 30.9 p -135.84 135.59 39.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.364 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.572 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 12.0 p90 -154.84 -177.15 6.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.704 HG23 ' HA ' ' A' ' 29' ' ' PRO . 3.2 m -123.92 162.5 23.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.362 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' ' 28' ' ' ILE . 6.6 m -131.99 156.21 42.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.1 m -111.05 131.85 54.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.418 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 28' ' ' ILE . 6.5 mm-40 -143.26 98.3 3.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.321 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.455 ' O ' ' HB2' ' A' ' 25' ' ' LYS . . . 64.49 61.71 5.72 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 24' ' ' GLY . 7.0 mttm 75.51 -55.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 0.794 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.56 160.83 1.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 pttt -132.62 107.28 8.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.612 ' O ' HG22 ' A' ' 21' ' ' VAL . 4.2 mp -95.11 131.11 30.76 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.704 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.4 Cg_endo -75.0 146.41 32.6 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.525 1.802 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.572 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 24.1 t -131.11 153.46 39.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.57 115.31 13.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.11 112.42 21.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.6 p -123.79 148.38 46.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 108.297 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.519 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -112.34 122.29 47.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.496 HG22 ' HG ' ' A' ' 40' ' ' LEU . 73.8 t -60.23 113.74 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -89.51 -43.55 10.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.62 135.59 38.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.83 -142.76 30.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.462 ' OE1' HG13 ' A' ' 72' ' ' VAL . 3.1 pt20 -150.13 176.84 10.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.496 ' HG ' HG22 ' A' ' 35' ' ' VAL . 72.3 mt -117.28 124.81 49.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.67 ' OE2' HG21 ' A' ' 10' ' ' ILE . 30.1 mt-10 -115.8 121.51 42.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.439 ' CD ' ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -56.43 160.99 2.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.277 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.436 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 0.8 OUTLIER 83.7 -51.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.603 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -43.57 165.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.447 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -88.94 142.03 27.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 98' ' ' CYS . 7.8 m-85 -137.25 172.77 12.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.938 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.71 ' HD2' HD11 ' A' ' 49' ' ' ILE . 0.6 OUTLIER -160.52 152.08 19.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.684 HD23 HG13 ' A' ' 55' ' ' ILE . 26.8 tp -104.4 116.69 32.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.71 HD11 ' HD2' ' A' ' 47' ' ' LYS . 2.4 mp -105.55 115.28 47.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.492 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 10.4 ttm180 -124.28 112.83 17.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 7.8 t-20 81.56 -0.49 1.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.85 -13.71 29.38 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.455 1.097 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -99.0 147.98 24.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.784 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 t -87.16 138.48 18.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.684 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -113.47 -41.94 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.355 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.957 ' CG ' HD13 ' A' ' 83' ' ' LEU . 57.8 t90 -129.63 136.03 49.26 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.17 118.5 14.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.512 ' O ' ' CH2' ' A' ' 56' ' ' TRP . . . 160.98 -166.89 35.79 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 p -94.0 152.49 18.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 110.023 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.629 HD22 HD13 ' A' ' 81' ' ' LEU . 6.5 mt -78.23 147.24 34.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.425 ' C ' ' HG ' ' A' ' 62' ' ' SER . 10.8 p -82.12 -23.09 35.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.438 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.425 ' HG ' ' C ' ' A' ' 61' ' ' THR . 2.2 m -165.03 154.83 13.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.439 ' HB3' ' CD ' ' A' ' 42' ' ' ARG . 2.3 tp -158.76 120.99 3.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -123.81 165.91 16.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.436 ' C ' ' ND1' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -95.1 -50.9 4.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.599 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -160.16 -49.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.633 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -157.24 54.03 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.158 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -174.79 154.24 1.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.32 81.26 6.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.8 tt -96.18 139.04 19.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.697 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.8 OUTLIER -103.14 27.94 6.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 71' ' ' SER . 12.6 t -159.81 143.87 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.432 HG21 ' SG ' ' A' ' 79' ' ' CYS . 20.8 mm -141.28 103.1 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.2 mttt -65.51 179.85 0.74 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 73.7 m -74.96 139.28 42.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.467 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.41 ' HA2' ' NE ' ' A' ' 34' ' ' ARG . . . 87.85 -10.23 71.09 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.9 mmm -86.54 126.66 34.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 0.771 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -83.95 143.11 30.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.432 ' SG ' HG21 ' A' ' 73' ' ' ILE . 25.5 p -156.27 159.39 38.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 108.324 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -126.77 145.14 15.56 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.629 HD13 HD22 ' A' ' 60' ' ' LEU . 4.4 pp -134.45 158.0 45.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.3 p -141.25 139.55 33.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.012 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.957 HD13 ' CG ' ' A' ' 56' ' ' TRP . 6.2 mt -96.67 155.98 16.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -70.66 -25.59 63.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -92.48 81.0 4.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.9 pm0 -48.78 -23.45 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.95 -46.32 68.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.791 HG21 ' HB2' ' A' ' 56' ' ' TRP . 89.5 t -62.35 128.7 24.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -114.77 149.15 37.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.275 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.492 ' HB3' HD13 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -109.72 168.01 9.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.423 ' CA ' HG21 ' A' ' 18' ' ' THR . 0.1 OUTLIER -153.03 157.89 32.95 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 54.86 3.76 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.783 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.91 33.9 0.08 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -116.6 -172.4 2.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 0.784 . . . . 0.0 109.267 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' ILE . 15.7 mt-30 -138.6 146.76 42.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.7 t -127.17 98.26 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.441 HD13 ' HG3' ' A' ' 12' ' ' GLU . 4.7 mm -87.2 132.07 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.571 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 14.4 t -119.15 104.41 10.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 108.32 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 9.9 p90 -136.03 171.48 14.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.85 157.86 18.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.17 82.72 1.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -177.65 135.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -112.03 101.29 9.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 22.8 m -78.64 154.39 78.58 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 88.34 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.8 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.5 p -134.06 113.52 12.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.398 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.6 tttt 57.04 78.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.247 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.647 HG23 ' O ' ' A' ' 108' ' ' THR . 15.2 t -86.04 55.84 3.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.426 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.44 119.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 109.974 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 16.5 m95 56.53 96.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 107.981 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -70.24 137.93 86.81 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 109.249 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 56.47 4.28 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.412 1.743 . . . . 0.0 111.009 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -175.16 73.26 0.08 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.536 1.147 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -98.86 -53.54 3.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.751 . . . . 0.0 111.051 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 28.3 t -137.33 144.67 42.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.949 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -52.46 107.24 0.47 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.532 1.145 . . . . 0.0 111.043 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.26 33.71 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 52.2 p -147.42 155.26 41.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.04 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 41.2 p -80.67 125.26 29.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -152.68 120.61 6.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.781 . . . . 0.0 109.983 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -84.21 131.03 34.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.54 -135.41 8.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.447 1.092 . . . . 0.0 110.955 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 p 46.92 91.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 0.752 . . . . 0.0 110.023 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.8 t -79.64 129.44 34.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.67 -169.65 37.18 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -140.71 156.43 69.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.747 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.48 9.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.447 1.762 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.802 HD12 ' HA ' ' A' ' 99' ' ' TYR . 1.6 mp -69.06 -35.54 69.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -176.88 150.95 10.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.538 1.149 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -118.94 150.13 40.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -140.05 130.55 25.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.7 m -98.63 146.95 25.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.553 HD13 ' HB3' ' A' ' 90' ' ' PHE . 58.4 mt -90.46 122.6 42.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.702 HD11 ' HB2' ' A' ' 34' ' ' ARG . 9.2 mt -97.32 -39.2 9.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.2 153.33 45.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.657 HG21 ' CA ' ' A' ' 91' ' ' LYS . 51.6 p -136.21 135.75 39.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.452 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.554 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 12.4 p90 -156.39 -177.59 6.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.78 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.7 m -124.2 162.81 22.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.651 HG22 HG23 ' A' ' 30' ' ' VAL . 6.0 m -132.88 159.1 43.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.2 m -111.37 133.99 53.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 110.378 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.418 ' HB2' HD13 ' A' ' 28' ' ' ILE . 2.8 mt-10 -144.3 99.12 3.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.469 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . 63.17 48.58 78.53 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.433 1.083 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER 85.69 -50.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 0.761 . . . . 0.0 109.244 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 163.09 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.8 mtmm -132.11 102.79 5.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.784 ' N ' HD12 ' A' ' 28' ' ' ILE . 2.6 mp -94.94 123.17 58.4 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.78 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.4 Cg_endo -74.95 130.17 13.08 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.651 HG23 HG22 ' A' ' 21' ' ' VAL . 52.9 t -113.66 157.64 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.781 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -137.68 115.7 11.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.9 115.5 23.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.2 p -128.1 144.74 51.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 108.295 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.702 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -107.18 119.74 40.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.536 HG21 HG22 ' A' ' 73' ' ' ILE . 96.2 t -56.87 123.86 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -103.84 -35.14 8.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.09 145.39 30.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.94 -145.81 45.51 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -147.38 175.97 10.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 0.764 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.2 mt -117.53 124.87 49.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -112.66 137.8 50.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.42 70.44 8.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.268 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -179.55 -49.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.616 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.408 ' HD2' HD13 ' A' ' 10' ' ' ILE . 20.9 mmtm -50.18 178.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.583 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -96.57 158.79 15.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.244 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.583 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 21.2 m-85 -148.28 169.72 19.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 111.048 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.476 ' HD2' HD11 ' A' ' 49' ' ' ILE . 12.1 pttt -162.62 150.18 13.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.723 HD23 HG13 ' A' ' 55' ' ' ILE . 28.4 tp -104.33 119.43 38.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.761 ' N ' HD12 ' A' ' 49' ' ' ILE . 1.8 mp -107.37 113.64 44.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.452 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 3.7 ttm180 -121.28 114.07 20.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 29.1 t30 77.99 1.14 2.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.07 -14.9 28.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.13 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -96.75 149.26 22.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.784 . . . . 0.0 110.321 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 t -91.01 131.32 38.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.723 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -105.6 -41.74 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 109.263 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.775 ' CG ' HD13 ' A' ' 83' ' ' LEU . 71.4 t90 -130.01 135.23 48.05 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -137.75 115.13 11.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.3 -163.09 36.32 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 m -95.92 147.49 23.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 0.793 . . . . 0.0 110.005 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.61 HD22 HD13 ' A' ' 81' ' ' LEU . 22.2 mt -69.15 114.44 7.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.56 -13.72 23.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.412 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 m -167.14 153.65 8.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.024 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.1 tp -155.65 126.64 7.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -138.57 147.81 43.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.479 ' O ' ' CB ' ' A' ' 66' ' ' HIS . 64.0 t60 -85.32 52.84 2.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.579 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.479 ' CB ' ' O ' ' A' ' 65' ' ' HIS . 2.6 t-160 86.5 -47.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.612 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -166.98 54.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -163.56 125.31 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -75.02 79.58 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.808 HG21 HD11 ' A' ' 73' ' ' ILE . 7.5 tt -90.36 170.52 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 60.2 p -115.76 -35.58 4.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.7 t -132.12 140.21 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.346 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.808 HD11 HG21 ' A' ' 70' ' ' ILE . 20.3 mm -116.91 127.5 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -85.08 179.41 7.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 59.2 m -76.7 152.53 35.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.396 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 73.59 8.65 76.96 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.471 1.107 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.3 mmm -105.18 133.19 50.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.453 ' O ' ' ND1' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -92.95 124.44 36.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 26.3 p -137.1 160.34 39.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 108.319 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -121.15 126.18 6.47 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.61 HD13 HD22 ' A' ' 60' ' ' LEU . 4.4 pp -118.18 135.86 53.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 0.791 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.0 p -116.4 140.19 49.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.775 HD13 ' CG ' ' A' ' 56' ' ' TRP . 33.2 mt -93.04 147.65 22.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -64.35 -26.77 68.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 87' ' ' LYS . 0.5 OUTLIER -95.54 76.11 3.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -41.23 -28.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 85' ' ' GLU . 20.1 mttt -47.83 -47.83 31.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.731 HG11 ' HB2' ' A' ' 56' ' ' TRP . 61.2 t -65.44 125.42 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -115.89 136.61 52.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.781 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 1.1 m-85 -87.7 -172.47 3.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.062 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.657 ' CA ' HG21 ' A' ' 18' ' ' THR . 0.2 OUTLIER -172.84 155.56 3.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 55.82 4.1 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -175.56 33.85 0.09 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -122.49 -168.69 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -144.24 155.78 44.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 28.0 t -134.47 98.5 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.587 ' N ' HD12 ' A' ' 97' ' ' ILE . 1.2 mp -87.12 115.23 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 7.4 t -96.77 101.97 13.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 108.32 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.802 ' HA ' HD12 ' A' ' 10' ' ' ILE . 2.8 p90 -144.56 176.12 9.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.463 ' HG2' HD11 ' A' ' 10' ' ' ILE . 18.0 pt-20 -127.15 144.04 51.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -94.32 99.33 11.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -153.33 129.24 10.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -110.15 118.0 35.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.2 m -124.22 155.04 68.68 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 66.83 6.01 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.506 1.793 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.5 t -86.24 146.66 26.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.373 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.32 76.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.4 m -144.95 146.01 31.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.394 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 96.0 p -91.69 101.63 14.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.986 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 28.4 m95 -72.97 144.51 47.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 108.058 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -48.32 143.93 6.75 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.241 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 69.24 5.58 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.788 . . . . 0.0 111.042 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -156.08 97.25 0.16 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -56.01 130.76 45.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.9 m -107.42 165.91 11.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.044 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 163.18 -147.12 12.57 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 154.37 42.31 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 111.039 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.53 167.49 28.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.995 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.6 m -131.82 -58.63 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -64.91 120.94 13.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 0.777 . . . . 0.0 109.981 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -156.53 159.22 38.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.984 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.93 -73.56 0.38 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.23 86.47 5.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 109.986 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.75 150.25 21.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.984 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.71 -166.83 27.95 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.574 1.171 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.447 ' C ' ' CD1' ' A' ' 8' ' ' TYR . 8.6 p90 -103.66 154.67 37.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 134.29 17.73 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.542 HD11 ' HB2' ' A' ' 100' ' ' GLU . 45.3 mt -73.66 -43.58 54.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.47 142.02 5.28 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -101.77 140.51 35.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.758 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.25 133.22 43.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 33' ' ' CYS . 67.7 m -99.59 154.74 18.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.548 HD13 ' HB3' ' A' ' 90' ' ' PHE . 73.5 mt -96.66 127.4 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.646 HD11 ' HB2' ' A' ' 34' ' ' ARG . 17.6 mt -101.51 -37.4 8.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -145.5 153.69 41.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.58 HG21 ' CA ' ' A' ' 91' ' ' LYS . 30.4 p -135.14 135.56 41.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.428 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.571 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 9.8 p90 -154.16 -177.31 6.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.67 HG23 ' HA ' ' A' ' 29' ' ' PRO . 2.1 m -123.16 162.64 22.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.619 HG22 ' O ' ' A' ' 28' ' ' ILE . 6.2 m -131.53 156.83 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.3 m -108.56 132.43 53.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.358 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 28' ' ' ILE . 1.6 mt-10 -143.67 98.92 3.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . 62.57 51.37 56.57 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.2 OUTLIER 84.97 -52.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.33 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.46 161.24 0.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -131.99 99.01 4.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.619 ' O ' HG22 ' A' ' 21' ' ' VAL . 5.0 mp -89.83 128.48 50.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.67 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.3 Cg_endo -75.02 139.28 24.03 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.473 1.775 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.571 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 38.8 t -125.14 145.33 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.653 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -122.76 120.38 33.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -90.55 114.94 27.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 14' ' ' SER . 1.9 p -127.2 146.97 50.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 108.305 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.646 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -108.23 120.94 43.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.449 HG21 HG22 ' A' ' 73' ' ' ILE . 25.0 t -58.54 131.29 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -113.96 -37.55 4.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -145.57 130.82 18.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.29 -145.01 19.49 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -150.19 166.85 28.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 110.301 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.68 HD22 ' SG ' ' A' ' 98' ' ' CYS . 53.1 mt -117.23 124.66 49.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.473 ' HB2' ' CG ' ' A' ' 44' ' ' LYS . 6.3 mt-10 -108.93 179.01 4.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.69 -31.92 9.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.04 47.65 1.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.56 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.473 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 21.1 mmtm -136.93 168.19 20.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.55 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 11.0 mptt -95.3 153.83 17.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.557 ' CD2' ' SG ' ' A' ' 98' ' ' CYS . 19.8 m-85 -146.28 173.99 11.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.66 153.38 17.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.664 ' C ' HD12 ' A' ' 49' ' ' ILE . 40.8 tp -104.35 120.93 42.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.748 ' N ' HD12 ' A' ' 49' ' ' ILE . 2.1 mp -111.07 116.53 52.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.506 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 30.6 ttm180 -122.78 110.97 16.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 8.6 t-20 82.36 -6.69 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.358 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.43 -15.12 10.76 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -96.42 148.14 23.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 110.335 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.446 HG22 HG13 ' A' ' 49' ' ' ILE . 8.4 t -89.55 136.15 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.583 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -110.47 -43.48 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.846 ' CG ' HD13 ' A' ' 83' ' ' LEU . 46.6 t90 -127.13 135.66 51.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 108.05 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.94 113.74 9.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 176.39 -142.98 6.21 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.102 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 p -120.58 155.06 34.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.74 . . . . 0.0 109.967 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.451 HD13 ' HB2' ' A' ' 81' ' ' LEU . 27.7 mt -77.88 136.21 38.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 13.4 p -77.47 -16.65 58.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.408 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.5 m -168.9 153.62 5.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.989 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 tp -152.85 116.01 4.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.085 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -129.55 157.07 43.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.688 ' HB2' HD11 ' A' ' 73' ' ' ILE . 4.3 t60 -88.04 62.42 6.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.61 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.406 ' CB ' ' O ' ' A' ' 65' ' ' HIS . 5.8 t-80 80.54 -53.75 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.644 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -159.04 62.85 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -173.12 138.68 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.69 86.31 3.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 1.038 HG21 HD11 ' A' ' 73' ' ' ILE . 0.6 OUTLIER -100.55 146.49 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 61.8 p -101.79 -26.72 13.37 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.468 1.105 . . . . 0.0 110.026 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.6 t -139.93 134.2 36.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 1.038 HD11 HG21 ' A' ' 70' ' ' ILE . 12.7 mm -114.55 128.07 71.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -83.42 175.55 9.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.359 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.9 m -73.3 142.19 47.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 110.363 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.78 -4.68 85.5 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.2 mmm -96.1 131.06 42.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -83.48 145.8 28.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.41 ' SG ' HD12 ' A' ' 40' ' ' LEU . 23.0 p -161.56 158.3 26.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 108.313 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -119.92 134.93 10.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.512 ' O ' HD12 ' A' ' 81' ' ' LEU . 4.2 pp -126.1 148.1 49.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.9 p -129.11 141.3 51.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.984 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.846 HD13 ' CG ' ' A' ' 56' ' ' TRP . 39.1 mt -87.98 167.76 13.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -92.79 25.95 2.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -150.6 91.55 1.75 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.266 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -52.78 -21.53 4.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -55.23 -42.94 74.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.836 HG21 ' HB2' ' A' ' 56' ' ' TRP . 48.9 t -72.08 133.22 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -121.94 135.78 54.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.653 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 1.5 m-85 -90.92 -174.8 4.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.58 ' CA ' HG21 ' A' ' 18' ' ' THR . 0.3 OUTLIER -172.12 158.74 4.27 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 95.27 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.504 1.792 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 146.67 -17.13 1.62 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -66.78 -179.27 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.751 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -132.3 158.28 42.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.406 HG12 ' SG ' ' A' ' 98' ' ' CYS . 15.4 t -134.58 99.22 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 9.8 mm -87.65 112.74 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.68 ' SG ' HD22 ' A' ' 40' ' ' LEU . 4.0 m -102.52 94.39 5.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 108.335 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -104.29 168.45 9.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.542 ' HB2' HD11 ' A' ' 10' ' ' ILE . 2.8 tm-20 -106.7 122.57 46.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.354 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.83 95.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -134.08 159.08 41.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.45 121.5 45.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.596 HG23 ' HD2' ' A' ' 105' ' ' PRO . 5.9 p -170.24 141.7 1.72 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.596 ' HD2' HG23 ' A' ' 104' ' ' VAL . 18.2 Cg_endo -75.01 106.53 2.29 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.496 1.787 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.8 t -81.98 160.7 23.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.388 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.68 106.17 1.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 42.6 m -145.09 139.68 27.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.393 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 16.2 t -134.42 -57.59 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.023 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -61.91 131.21 49.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 108.012 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -102.56 131.37 22.48 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 146.03 32.03 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -49.63 149.9 5.0 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.146 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -86.69 148.94 25.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.9 t -179.04 137.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.034 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 159.13 175.0 29.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 119' ' ' SER . 18.2 Cg_endo -75.0 -47.32 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.474 1.776 . . . . 0.0 110.96 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 52.4 m 66.6 -70.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 117' ' ' PRO . 44.9 t 65.39 160.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.983 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -81.3 167.27 19.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 0.795 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.3 p -153.2 157.26 39.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.55 149.88 5.56 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.6 t -167.39 123.53 1.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 0.0 110.008 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.5 142.02 47.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.13 159.52 4.88 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.12 . . . . 0.0 110.971 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -84.17 153.45 62.9 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 0.747 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 127.13 10.42 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.544 1.812 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.1 mt -78.49 -46.7 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -168.73 139.37 5.62 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.12 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -105.57 124.83 50.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.749 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.05 131.62 54.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 m -96.62 142.14 29.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.041 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.576 HD13 ' HB3' ' A' ' 90' ' ' PHE . 52.9 mt -84.16 120.15 34.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.7 HD11 ' HB2' ' A' ' 34' ' ' ARG . 9.6 mt -92.4 -41.23 10.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.12 159.55 41.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.587 HG21 ' CA ' ' A' ' 91' ' ' LYS . 17.5 p -141.12 142.68 34.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.381 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.554 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 10.0 p90 -162.28 179.77 7.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.688 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.5 m -121.13 162.1 20.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.38 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 28' ' ' ILE . 5.8 m -131.11 159.04 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.3 m -112.92 132.51 55.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 110.437 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -139.29 99.34 3.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . 58.78 47.37 90.72 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.597 1.186 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER 89.35 -43.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.278 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.88 160.06 2.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -132.36 101.22 5.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.81 ' N ' HD12 ' A' ' 28' ' ' ILE . 2.2 mp -96.54 124.66 50.04 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.688 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.2 Cg_endo -75.06 128.76 11.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.58 HG23 HG22 ' A' ' 21' ' ' VAL . 47.9 t -113.49 157.01 14.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.777 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -139.47 119.84 13.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.33 118.32 30.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 p -131.04 139.95 50.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 108.304 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.7 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -104.3 122.2 44.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.283 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.673 HG21 HG22 ' A' ' 73' ' ' ILE . 57.6 t -51.7 126.87 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -99.39 -38.23 8.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.23 148.96 33.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.76 -135.35 49.34 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.449 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 7.8 pt20 -155.81 175.59 13.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.751 . . . . 0.0 110.355 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.2 mt -117.18 124.7 49.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -104.87 118.34 36.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 110.244 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.52 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 0.8 OUTLIER -59.55 153.48 19.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.52 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 12.3 t60 88.75 -42.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.609 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -52.12 -176.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.358 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.493 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 4.5 mttt -99.5 151.03 21.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.087 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.493 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 15.0 m-85 -142.34 174.72 10.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.527 ' HD2' HD11 ' A' ' 49' ' ' ILE . 15.4 pttt -163.56 148.31 10.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.879 HD23 HG13 ' A' ' 55' ' ' ILE . 19.5 tp -104.34 119.69 39.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.733 ' N ' HD12 ' A' ' 49' ' ' ILE . 1.6 mp -108.09 118.32 55.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.431 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 19.6 ttp85 -123.36 113.18 18.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.431 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 4.1 t-20 77.39 1.35 3.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.06 -14.59 26.14 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.533 1.146 . . . . 0.0 110.97 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -96.63 150.27 20.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 0.792 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 t -91.16 132.78 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.879 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -106.5 -42.75 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.765 ' HB2' HG21 ' A' ' 88' ' ' VAL . 48.3 t90 -130.4 138.44 50.35 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.83 125.13 21.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.487 ' O ' ' CH2' ' A' ' 56' ' ' TRP . . . 154.06 -167.16 32.22 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 p -94.01 157.38 16.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.544 ' CD2' HD13 ' A' ' 81' ' ' LEU . 15.3 mt -79.72 163.09 24.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 65.5 p -101.66 -19.3 15.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.436 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.5 m -164.15 160.76 21.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.995 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.471 ' HB3' ' CG ' ' A' ' 42' ' ' ARG . 11.5 tp -158.62 124.7 4.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.354 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -133.42 133.94 42.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.18 -42.72 62.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.612 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.17 -62.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.602 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.87 53.86 1.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -179.64 120.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -67.18 78.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.527 ' CG2' HD11 ' A' ' 73' ' ' ILE . 15.5 tt -87.55 166.18 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 92.8 p -115.95 -34.77 4.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.019 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.466 ' O ' HD13 ' A' ' 73' ' ' ILE . 19.5 t -108.75 145.62 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.673 HG22 HG21 ' A' ' 35' ' ' VAL . 48.0 mm -129.3 109.89 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -69.47 -176.25 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.2 m -79.01 145.18 34.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.365 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.11 -0.13 74.57 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.7 mmm -93.75 128.75 40.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 0.762 . . . . 0.0 111.041 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -84.17 146.24 27.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 24.5 p -160.07 158.49 30.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 108.258 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -127.59 135.57 8.8 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.544 HD13 ' CD2' ' A' ' 60' ' ' LEU . 3.8 pp -126.04 162.68 24.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.785 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.481 ' OG ' HG22 ' A' ' 30' ' ' VAL . 12.6 m -143.74 138.82 29.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.741 HD13 ' CG ' ' A' ' 56' ' ' TRP . 10.0 mt -92.19 147.83 22.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -18.57 64.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 87' ' ' LYS . 3.6 tp10 -100.37 79.6 2.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -43.57 -27.52 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 85' ' ' GLU . 5.0 mttp -48.99 -47.58 44.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.765 HG21 ' HB2' ' A' ' 56' ' ' TRP . 61.1 t -67.93 124.51 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -115.87 137.42 52.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.777 ' CD2' ' HB2' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -88.72 179.63 6.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 111.017 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.587 ' CA ' HG21 ' A' ' 18' ' ' THR . 6.0 mttt -165.28 157.05 13.04 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 55.34 3.91 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -177.65 34.32 0.08 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.447 1.092 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.435 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 0.5 OUTLIER -118.95 -168.65 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 109.315 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -144.55 152.84 41.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 22.2 t -130.05 103.55 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.47 ' HB ' ' CE ' ' A' ' 47' ' ' LYS . 18.5 mm -90.75 124.71 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 17.4 t -114.76 101.18 8.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 108.301 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -123.92 165.07 18.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 111.022 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -121.38 125.56 47.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.42 97.79 3.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -167.79 137.97 2.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 8.7 pttp -132.69 118.39 19.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.247 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.428 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 0.6 OUTLIER -149.37 132.2 8.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 104' ' ' VAL . 18.4 Cg_endo -75.0 86.46 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.472 1.775 . . . . 0.0 111.015 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.2 t -42.2 145.88 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.37 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.61 81.98 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 108' ' ' THR . 4.3 m 59.13 54.94 4.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.377 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.3 m -123.82 143.28 50.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 78.48 122.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.509 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 0.2 OUTLIER 163.38 -52.03 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 111' ' ' ASP . 18.4 Cg_endo -74.99 107.99 2.61 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.476 1.777 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 142.18 95.44 0.23 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.442 1.088 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.81 -55.41 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.5 t -54.01 105.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.02 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -68.68 -152.52 0.46 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 176.42 9.94 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.442 1.759 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.4 m 50.08 95.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.017 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.9 t -109.55 150.61 27.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.011 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.517 1.135 . . . . 0.0 111.022 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.38 82.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 0.766 . . . . 0.0 109.989 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.1 t -174.26 134.05 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.034 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.44 -178.8 48.71 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -69.27 125.76 27.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 110.028 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.87 110.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.0 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.22 120.81 1.96 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.509 1.131 . . . . 0.0 111.039 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -71.08 150.9 94.83 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.767 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.463 ' HB3' ' CG2' ' A' ' 97' ' ' ILE . 18.3 Cg_endo -74.95 131.54 14.47 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.508 1.793 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.1 mt -83.03 -42.85 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.33 145.38 11.09 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.466 1.104 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.554 ' HG2' HD12 ' A' ' 97' ' ' ILE . 3.4 mp0 -113.27 121.83 45.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 110.309 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.96 131.01 57.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.72 140.96 34.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.004 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.62 HD13 ' HB3' ' A' ' 90' ' ' PHE . 60.6 mt -85.31 117.2 29.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.678 HD11 ' HB2' ' A' ' 34' ' ' ARG . 13.2 mt -90.51 -38.85 12.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.33 160.23 42.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.504 HG22 ' CG2' ' A' ' 15' ' ' ILE . 13.8 p -141.36 138.68 33.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 30' ' ' VAL . 8.3 p90 -153.79 -177.26 6.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.133 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.518 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.9 m -118.42 163.44 16.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.37 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.579 HG22 ' O ' ' A' ' 28' ' ' ILE . 6.7 m -135.7 158.52 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.9 m -116.03 143.14 45.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.406 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -149.81 99.45 2.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.92 -44.2 3.32 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.2 mttt 175.31 -43.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.99 175.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.12 97.72 4.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.579 ' O ' HG22 ' A' ' 21' ' ' VAL . 4.4 mp -89.74 124.02 64.96 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.518 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.5 Cg_endo -74.95 146.94 33.46 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.512 1.796 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.525 HG23 HG22 ' A' ' 21' ' ' VAL . 53.8 t -137.43 154.74 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.727 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -134.2 120.27 19.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.41 116.83 24.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 p -127.68 145.25 50.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 108.313 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.678 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -108.66 122.68 47.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.475 HG21 HG22 ' A' ' 73' ' ' ILE . 85.4 t -62.12 112.12 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -88.8 -45.17 9.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -139.47 136.39 34.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.433 ' O ' ' CG1' ' A' ' 35' ' ' VAL . . . 76.47 -164.04 53.16 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.448 1.093 . . . . 0.0 111.026 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -132.76 172.27 12.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 0.793 . . . . 0.0 110.262 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 72' ' ' VAL . 77.0 mt -117.05 124.5 49.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -105.84 122.97 47.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -71.56 83.2 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 172.18 -47.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.582 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -56.47 -173.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.581 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 2.7 mmtp -99.23 162.29 13.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.581 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 14.6 m-85 -146.8 169.02 19.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.441 ' HE2' ' CE1' ' A' ' 99' ' ' TYR . 1.4 pttt -157.04 145.73 19.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.509 HD22 ' CD2' ' A' ' 90' ' ' PHE . 41.5 tp -104.23 112.45 25.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.657 ' N ' HD12 ' A' ' 49' ' ' ILE . 2.7 mp -101.51 119.41 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 2.1 ttm180 -126.1 112.73 16.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER 80.56 -1.84 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.13 -12.9 24.08 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -100.27 148.05 25.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 0.78 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.7 t -87.04 135.05 26.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.495 ' CD1' ' O ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -110.54 -42.15 4.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.974 ' CG ' HD13 ' A' ' 83' ' ' LEU . 63.0 t90 -129.14 134.99 48.28 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.1 ttpp -137.07 117.16 13.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 163.85 -164.47 36.44 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -91.17 147.53 22.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.99 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.711 HD11 HD22 ' A' ' 81' ' ' LEU . 32.6 mt -64.68 123.14 18.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.3 m -65.13 -20.78 66.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.425 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.3 m -167.16 169.94 12.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.8 tp -163.89 125.12 2.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -140.19 141.31 35.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.499 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 10.3 t60 -90.04 59.22 4.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.627 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.445 ' CB ' ' O ' ' A' ' 65' ' ' HIS . 4.0 t-160 83.06 -55.83 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.558 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.4 60.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -169.62 124.48 0.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -76.44 81.73 3.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.779 HG21 HD11 ' A' ' 73' ' ' ILE . 8.7 tt -90.87 170.4 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.1 m -116.07 -34.87 4.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.989 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 3.4 t -128.37 140.57 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.779 HD11 HG21 ' A' ' 70' ' ' ILE . 23.9 mm -115.86 120.23 64.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -80.48 176.31 9.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.5 m -74.35 145.67 43.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.429 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.68 -12.33 56.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 97.9 mtp -88.26 129.32 35.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.52 130.15 37.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 29.8 p -139.27 164.72 29.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.332 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -125.49 125.55 5.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.12 . . . . 0.0 110.995 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.711 HD22 HD11 ' A' ' 60' ' ' LEU . 4.5 pp -114.37 142.33 46.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 18.1 p -125.7 142.0 51.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.979 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.974 HD13 ' CG ' ' A' ' 56' ' ' TRP . 19.3 mt -98.72 149.9 22.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -65.02 -19.61 66.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -100.64 87.1 3.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.68 -23.1 4.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.0 mttp -53.12 -47.36 68.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 0.0 109.284 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.741 HG21 ' HB2' ' A' ' 56' ' ' TRP . 57.9 t -65.36 123.09 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -110.69 144.35 39.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.278 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.727 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -104.7 143.09 33.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.948 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.416 ' HG3' ' NH2' ' A' ' 50' ' ' ARG . 3.1 mmtm -126.16 159.5 62.01 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 89.31 1.17 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.433 1.754 . . . . 0.0 110.977 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 155.0 -22.44 0.59 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.408 ' HB2' HD12 ' A' ' 15' ' ' ILE . 2.4 m-20 -56.16 -170.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -144.66 149.47 35.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 27.6 t -129.33 102.57 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.554 HD12 ' HG2' ' A' ' 12' ' ' GLU . 20.7 mm -99.8 119.56 48.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 11.5 t -101.27 99.75 10.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 108.287 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.441 ' CE1' ' HE2' ' A' ' 47' ' ' LYS . 19.1 p90 -123.28 167.24 14.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -104.42 147.78 27.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.22 139.08 58.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.33 162.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.1 ptpp? -107.49 163.36 13.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.705 HG23 ' HD2' ' A' ' 105' ' ' PRO . 2.6 p -131.82 142.89 46.86 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.705 ' HD2' HG23 ' A' ' 104' ' ' VAL . 18.3 Cg_endo -75.07 130.24 13.03 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.505 1.792 . . . . 0.0 111.021 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.6 t -113.99 -31.86 6.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.391 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.74 85.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 15.2 t -141.36 149.07 40.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.408 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 75.7 m -166.71 155.86 10.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.034 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -126.92 112.97 15.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 107.963 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -80.05 140.87 53.88 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 177.7 8.24 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.524 1.802 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -160.09 102.84 0.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.444 1.09 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -155.72 132.88 10.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 67.5 m -137.5 157.55 46.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.021 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -126.4 90.96 0.37 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 165.44 31.32 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.27 166.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.02 128.83 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.108 . . . . 0.0 111.015 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.19 -58.29 3.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 0.768 . . . . 0.0 109.947 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.42 160.26 40.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.037 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.97 -128.8 3.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.9 t -113.54 155.5 25.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 110.027 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.0 p -110.98 123.1 49.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.029 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.06 148.59 5.33 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.53 1.143 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 39.7 p90 -83.98 155.32 64.36 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 110.998 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 136.55 20.55 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.48 1.779 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.434 ' CD1' ' HE3' ' A' ' 44' ' ' LYS . 17.8 mt -81.92 -34.88 12.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 175.93 146.09 5.79 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.459 ' HG2' HD12 ' A' ' 97' ' ' ILE . 1.5 mp0 -115.53 136.34 53.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.37 147.95 45.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.55 134.0 55.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.082 . . . . 0.0 109.967 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.604 HD13 ' HB3' ' A' ' 90' ' ' PHE . 57.1 mt -83.34 120.6 34.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 mt -95.14 -38.82 10.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -143.2 158.97 43.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.506 HG22 ' CG2' ' A' ' 15' ' ' ILE . 19.8 p -142.48 137.85 30.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.388 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.544 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 8.7 p90 -152.24 -179.18 7.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.43 HG23 ' HA ' ' A' ' 29' ' ' PRO . 2.8 m -119.82 164.27 16.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 110.397 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.595 HG22 ' O ' ' A' ' 28' ' ' ILE . 6.6 m -136.65 157.83 36.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 4.1 m -121.86 127.15 50.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.397 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.527 ' CG ' ' CD1' ' A' ' 28' ' ' ILE . 0.3 OUTLIER -152.01 99.4 2.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.31 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.04 55.26 3.58 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt 52.15 22.64 1.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 109.264 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 22' ' ' THR . 1.6 mtmt -110.89 161.76 15.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -131.67 92.44 3.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.595 ' O ' HG22 ' A' ' 21' ' ' VAL . 1.9 mp -96.94 120.16 62.1 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.43 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.4 Cg_endo -74.99 123.45 7.9 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.492 1.785 . . . . 0.0 110.96 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.569 HG23 HG22 ' A' ' 21' ' ' VAL . 53.7 t -105.85 153.79 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.827 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -133.53 121.91 22.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.8 123.94 38.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.4 p -139.81 158.45 44.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 108.318 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.05 116.94 29.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.655 HG21 HG22 ' A' ' 73' ' ' ILE . 92.5 t -51.74 113.64 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -79.03 -48.17 14.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.352 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.92 149.05 30.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.0 -137.51 18.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.633 ' OE1' HG13 ' A' ' 72' ' ' VAL . 2.7 pt20 -157.2 174.8 14.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 0.739 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.522 HD22 ' SG ' ' A' ' 98' ' ' CYS . 45.8 mt -117.34 124.59 49.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -102.62 121.48 42.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.457 ' HG2' ' CD2' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -74.66 73.98 2.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.454 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 4.8 p-80 165.64 -34.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.606 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.434 ' HE3' ' CD1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -61.63 178.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.557 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -94.03 150.81 20.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.557 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 16.2 m-85 -146.47 178.19 8.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.555 ' HD2' HD11 ' A' ' 49' ' ' ILE . 8.2 pttt -163.56 155.21 17.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.718 HD23 HG13 ' A' ' 55' ' ' ILE . 21.1 tp -106.9 122.34 46.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.759 ' N ' HD12 ' A' ' 49' ' ' ILE . 2.3 mp -108.47 114.52 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.47 ' HB2' ' CD1' ' A' ' 55' ' ' ILE . 7.1 ttp-105 -126.45 119.12 26.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.462 ' N ' ' OD1' ' A' ' 51' ' ' ASN . 0.8 OUTLIER 75.36 3.24 3.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.53 -12.01 42.91 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -103.95 147.64 27.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 110.312 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.444 HG22 HG13 ' A' ' 49' ' ' ILE . 4.7 t -87.48 133.91 29.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.718 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -105.21 -43.56 7.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.803 ' CG ' HD13 ' A' ' 83' ' ' LEU . 40.3 t90 -124.63 138.43 54.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 107.993 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.02 113.36 9.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.508 ' C ' ' CH2' ' A' ' 56' ' ' TRP . . . 168.79 -158.06 30.49 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.2 p -105.99 152.47 23.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.767 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.589 ' CD2' HD13 ' A' ' 81' ' ' LEU . 8.9 mt -73.82 158.17 35.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 64.8 p -106.33 -26.74 11.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.415 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -148.68 162.78 39.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.011 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.457 ' CD2' ' HG2' ' A' ' 42' ' ' ARG . 2.5 tp -170.61 123.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -130.33 150.15 51.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 2.2 t60 -95.62 55.51 1.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.582 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.406 ' CB ' ' O ' ' A' ' 65' ' ' HIS . 0.2 OUTLIER 80.44 -63.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.605 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -147.27 63.68 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.0 t0 177.64 117.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -71.76 82.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.448 HG21 HD11 ' A' ' 73' ' ' ILE . 12.5 tt -92.26 168.6 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.228 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.22 -34.83 4.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.633 HG13 ' OE1' ' A' ' 39' ' ' GLN . 5.6 t -119.98 142.43 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.655 HG22 HG21 ' A' ' 35' ' ' VAL . 7.5 mm -122.75 125.97 73.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -79.21 -171.36 2.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.2 m -85.53 146.32 26.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.401 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 73.65 3.62 63.54 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.515 1.135 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.5 mmm -94.61 132.55 39.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 0.74 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.412 ' O ' ' ND1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -84.74 142.19 30.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.458 ' HB3' HD12 ' A' ' 73' ' ' ILE . 27.6 p -162.32 162.44 27.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 108.322 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -122.52 139.0 12.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.589 HD13 ' CD2' ' A' ' 60' ' ' LEU . 4.6 pp -130.55 152.06 50.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 0.748 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.5 p -135.82 153.26 51.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.001 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.803 HD13 ' CG ' ' A' ' 56' ' ' TRP . 4.6 mt -107.37 146.17 31.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -54.93 -20.28 8.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -94.68 133.6 38.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -91.5 -32.43 15.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.65 -42.7 62.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.652 HG21 ' HB2' ' A' ' 56' ' ' TRP . 14.6 p -70.09 122.98 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -120.21 138.9 53.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.339 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.827 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -93.86 145.36 24.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.97 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.93 161.48 61.22 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 54.89 3.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -174.65 33.04 0.1 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.452 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 0.1 OUTLIER -117.18 -165.97 1.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.773 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' ILE . 33.8 mt-30 -153.42 152.5 31.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.5 t -128.73 97.92 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.459 HD12 ' HG2' ' A' ' 12' ' ' GLU . 8.4 mm -88.78 109.74 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.522 ' SG ' HD22 ' A' ' 40' ' ' LEU . 3.9 m -97.85 94.01 6.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 108.319 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 20.0 p90 -99.34 170.63 8.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -104.88 143.99 32.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.34 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -109.22 88.21 2.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -176.8 -61.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 47.26 87.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.258 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.0 m -101.69 154.01 37.56 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 95.0 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.525 1.803 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 68.1 p -144.7 117.81 8.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -82.69 123.05 28.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 21.0 m -128.34 136.11 50.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.406 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.7 m -42.28 122.62 2.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 25.0 m95 -66.44 153.57 42.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 107.981 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 62.95 149.51 0.1 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.264 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 131.9 14.81 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -80.98 -170.31 42.95 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.549 1.156 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -82.47 139.62 33.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 54.9 p -165.84 134.5 3.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 75.66 170.76 29.3 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 177.9 7.99 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.508 1.794 . . . . 0.0 111.003 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 60.6 p -112.25 161.43 16.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.043 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.1 t -150.44 150.6 31.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.983 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.52 1.137 . . . . 0.0 110.97 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.61 94.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.744 . . . . 0.0 109.96 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.08 118.57 3.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.977 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.13 166.75 10.85 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.536 1.147 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 p -98.51 155.28 17.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.777 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 p -97.38 169.45 9.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.023 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.23 142.04 32.25 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -106.22 156.69 36.45 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 127.16 10.43 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.513 1.796 . . . . 0.0 110.978 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.1 mt -73.68 -45.37 50.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -167.98 146.77 10.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -100.8 143.55 30.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.93 130.51 35.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.59 140.57 34.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.515 ' CG2' HG22 ' A' ' 18' ' ' THR . 75.0 mt -88.23 118.56 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.735 HD11 ' HB2' ' A' ' 34' ' ' ARG . 10.3 mt -91.51 -39.02 12.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.1 162.15 38.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.515 HG22 ' CG2' ' A' ' 15' ' ' ILE . 8.7 p -143.82 143.55 31.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.365 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -161.61 -177.22 5.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 29' ' ' PRO . 7.4 m -115.43 166.37 11.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 110.446 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 28' ' ' ILE . 6.7 m -137.55 159.89 34.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.1 m -111.11 135.9 50.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.416 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -144.21 99.14 3.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.95 -47.85 3.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -179.83 -38.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.46 175.04 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.37 101.25 5.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.657 ' N ' HD12 ' A' ' 28' ' ' ILE . 3.8 mp -90.42 123.51 65.27 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.409 ' HA ' ' HA ' ' A' ' 20' ' ' THR . 18.2 Cg_endo -75.02 129.26 12.17 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.541 HG23 HG22 ' A' ' 21' ' ' VAL . 77.4 t -116.81 157.87 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.811 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -133.76 119.54 19.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.94 121.3 31.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.246 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.3 p -132.6 151.32 51.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 108.309 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.735 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -107.85 118.56 37.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.68 HG21 HG22 ' A' ' 73' ' ' ILE . 51.9 t -55.39 118.88 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.454 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 5.6 mm-40 -94.91 -39.36 10.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.454 ' CG ' ' O ' ' A' ' 36' ' ' GLN . 2.1 mttm -155.49 134.56 12.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.47 -151.61 23.51 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.434 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 9.8 pt20 -143.55 167.19 22.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.2 mt -117.98 127.05 53.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.509 ' O ' HD22 ' A' ' 63' ' ' LEU . 27.9 mt-10 -96.07 177.82 5.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.78 -22.61 10.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -114.76 43.78 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.616 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -130.18 173.42 10.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.524 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.6 OUTLIER -90.18 146.88 23.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 98' ' ' CYS . 20.0 m-85 -145.01 173.93 11.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.792 ' CD ' HD11 ' A' ' 49' ' ' ILE . 1.2 pttm -163.48 151.99 13.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.906 HD23 HG13 ' A' ' 55' ' ' ILE . 20.2 tp -104.21 120.32 40.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.792 HD11 ' CD ' ' A' ' 47' ' ' LYS . 2.0 mp -110.52 110.26 31.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.35 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.435 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 9.7 ttp-105 -121.54 115.44 22.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 1.1 t-20 77.16 7.25 3.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.06 -14.16 55.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.11 . . . . 0.0 111.04 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -98.69 150.41 21.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 t -92.95 124.57 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.906 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -95.68 -34.94 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 1.022 ' CG ' HD13 ' A' ' 83' ' ' LEU . 35.1 t90 -136.66 140.43 42.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 107.984 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -137.58 137.63 38.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 147.47 -135.51 5.65 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.42 1.075 . . . . 0.0 111.035 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 p -130.5 152.2 50.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.989 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.67 ' CD2' HD13 ' A' ' 81' ' ' LEU . 14.9 mt -70.5 164.46 24.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.0 p -108.07 -17.33 14.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.5 m -163.01 161.66 25.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.509 HD22 ' O ' ' A' ' 41' ' ' GLU . 12.3 tp -162.23 115.13 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -126.92 160.78 30.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.69 ' CD2' ' CE1' ' A' ' 66' ' ' HIS . 2.8 t60 -108.39 -61.89 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.584 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.69 ' CE1' ' CD2' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -176.93 115.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.601 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 42.45 45.87 3.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.79 116.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.58 81.37 1.99 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.8 tt -90.56 164.26 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.466 ' O ' HD23 ' A' ' 63' ' ' LEU . 89.4 p -116.01 -35.56 4.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.7 t -105.28 150.01 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.355 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.68 HG22 HG21 ' A' ' 35' ' ' VAL . 25.0 mm -134.7 122.33 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -78.82 178.25 8.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.9 m -78.69 137.71 37.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.402 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.85 1.89 79.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.451 1.094 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.3 mmm -98.54 138.53 35.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.73 133.95 36.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 24.1 p -150.47 159.07 44.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 108.273 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -124.2 127.99 6.66 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.67 HD13 ' CD2' ' A' ' 60' ' ' LEU . 4.6 pp -114.85 166.66 11.52 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 0.799 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 97.4 p -146.47 156.48 43.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.022 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.022 HD13 ' CG ' ' A' ' 56' ' ' TRP . 12.2 mt -108.09 157.13 18.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -71.22 -17.78 62.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.44 ' C ' ' N ' ' A' ' 87' ' ' LYS . 4.8 tp10 -104.37 73.59 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -39.7 -29.24 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.44 ' N ' ' C ' ' A' ' 85' ' ' GLU . 8.4 mttm -46.31 -46.62 18.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.715 HG11 ' HB2' ' A' ' 56' ' ' TRP . 58.3 t -67.97 119.91 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -107.04 138.73 42.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.341 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.811 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -93.45 147.44 22.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.04 160.12 68.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 104.72 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.524 1.802 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.57 39.72 0.32 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.46 -166.61 1.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 0.737 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -143.52 146.63 33.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.418 HG11 HD21 ' A' ' 81' ' ' LEU . 16.1 t -130.61 99.46 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 46.6 mm -90.33 126.99 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.566 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 20.4 t -111.0 100.72 9.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 108.285 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 45' ' ' LYS . 35.3 p90 -112.86 173.86 6.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.07 125.93 30.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.42 -56.77 4.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -67.43 108.0 2.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -91.96 150.62 20.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.1 p -131.81 133.35 24.03 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 123.83 8.17 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.777 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.7 t -53.24 -33.7 54.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 26.6 tttt 55.58 80.3 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 13.3 t -70.47 155.1 41.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.409 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 90.8 p -147.12 147.09 30.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 2.6 t-105 -88.27 120.45 29.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 108.007 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -164.09 140.47 5.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 116.82 4.7 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.463 1.77 . . . . 0.0 111.007 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -97.87 139.64 14.58 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -85.64 165.13 17.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.76 166.35 24.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 124.41 -178.01 16.6 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 100.21 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.545 1.813 . . . . 0.0 110.979 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.9 166.28 16.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.69 84.28 7.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.79 111.66 23.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.777 . . . . 0.0 110.007 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.4 m -67.21 154.26 41.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.049 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.77 65.11 0.16 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 m -117.04 109.0 16.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 0.748 . . . . 0.0 110.008 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 t -114.84 136.12 53.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.022 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.95 -129.55 3.98 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.482 1.113 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -162.91 157.11 17.81 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.541 0.789 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 141.21 26.44 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.455 1.766 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.553 HG21 ' OE1' ' A' ' 41' ' ' GLU . 69.4 mt -79.81 -40.65 21.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.15 145.91 10.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -114.54 164.56 13.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 110.283 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.8 150.64 30.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.02 134.77 55.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.994 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.531 HD13 ' HB3' ' A' ' 90' ' ' PHE . 61.0 mt -79.93 120.17 30.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.555 HD11 ' HB2' ' A' ' 34' ' ' ARG . 17.7 mt -93.64 -38.27 11.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -143.19 160.48 40.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.528 HG21 ' CA ' ' A' ' 91' ' ' LYS . 34.6 p -140.82 134.79 30.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 0.0 110.406 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' VAL . 6.9 p90 -155.92 -177.83 6.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.659 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.9 m -120.37 163.32 18.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.44 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.593 HG22 HG23 ' A' ' 30' ' ' VAL . 3.8 m -132.5 160.51 42.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.4 m -115.64 138.46 51.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.414 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -141.85 99.49 3.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.49 -49.03 4.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.047 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.07 -40.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 0.775 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.39 172.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.48 98.3 4.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.556 ' O ' HG22 ' A' ' 21' ' ' VAL . 4.3 mp -90.0 125.76 59.52 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.659 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.4 Cg_endo -75.01 137.99 22.42 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.539 1.81 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.593 HG23 HG22 ' A' ' 21' ' ' VAL . 52.0 t -125.9 151.03 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.73 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -128.81 121.53 28.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.74 123.13 35.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 p -133.09 150.24 52.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 108.284 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.555 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -111.46 116.83 31.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.614 HG21 HG22 ' A' ' 73' ' ' ILE . 45.2 t -52.53 125.8 7.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -105.91 -33.63 7.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 110.285 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -147.69 136.63 22.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.17 -157.91 53.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -133.86 176.75 8.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.3 mt -117.14 124.59 49.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.553 ' OE1' HG21 ' A' ' 10' ' ' ILE . 5.5 mt-10 -105.95 117.77 34.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.444 ' CG ' ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -67.28 70.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.335 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.414 ' N ' ' O ' ' A' ' 41' ' ' GLU . 1.7 t-80 -179.11 -44.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.596 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 mmtm -56.9 -171.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.595 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 1.4 mptp? -97.96 165.12 12.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 30.2 m-85 -151.39 160.35 43.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.464 ' HE2' ' CE1' ' A' ' 99' ' ' TYR . 5.3 pttt -150.36 139.05 20.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.419 ' O ' ' CD1' ' A' ' 55' ' ' ILE . 30.4 tp -103.81 101.76 11.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 94' ' ' ASP . 1.6 mp -89.18 117.91 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.577 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 6.6 ttm180 -119.11 110.68 17.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.577 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 11.2 t-20 88.21 -36.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 162.54 -26.66 0.24 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -105.97 150.44 25.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 110.247 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.422 HG12 ' H ' ' A' ' 54' ' ' VAL . 1.3 p -83.7 147.76 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.519 HD11 ' HB2' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -113.03 -32.38 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.779 ' CG ' HD13 ' A' ' 83' ' ' LEU . 78.6 t90 -130.36 133.55 46.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 108.015 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.52 128.28 31.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 46' ' ' PHE . . . 151.24 -160.54 28.73 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.499 1.125 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.59 150.68 21.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 0.739 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.858 HD22 HD13 ' A' ' 81' ' ' LEU . 5.9 mt -72.19 159.46 34.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.528 HG21 ' HB3' ' A' ' 84' ' ' ASP . 69.4 p -102.24 -13.19 17.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.431 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.4 m -159.83 167.54 27.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.444 ' HB3' ' CG ' ' A' ' 42' ' ' ARG . 14.3 tp -176.23 121.22 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -139.53 155.55 47.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 15.5 t60 -106.84 38.78 2.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.603 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 67' ' ' LYS . 9.0 t-160 73.87 118.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.566 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' HIS . 6.3 tmtt? 39.18 56.44 2.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 67' ' ' LYS . 0.1 OUTLIER 177.32 119.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.15 82.59 8.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.427 HG21 HD11 ' A' ' 73' ' ' ILE . 5.1 tt -91.8 170.68 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.57 -43.47 3.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.984 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.3 t -109.47 143.4 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.626 HG21 ' SG ' ' A' ' 79' ' ' CYS . 28.4 mm -120.81 116.21 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -76.61 -176.33 3.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.1 m -77.58 152.9 33.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.41 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.83 10.13 57.83 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 65.1 mtp -104.43 123.58 47.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 0.747 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.52 132.27 34.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.626 ' SG ' HG21 ' A' ' 73' ' ' ILE . 13.6 p -147.22 156.0 42.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 108.322 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -119.71 130.26 8.38 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.858 HD13 HD22 ' A' ' 60' ' ' LEU . 3.6 pp -117.56 176.25 5.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.791 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.2 p -156.09 139.39 15.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.99 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.779 HD13 ' CG ' ' A' ' 56' ' ' TRP . 1.1 mt -93.81 142.9 26.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.528 ' HB3' HG21 ' A' ' 61' ' ' THR . 11.6 p-10 -55.95 -26.07 46.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -93.95 91.5 6.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.337 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.68 -19.7 28.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -57.78 -43.03 85.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.609 HG11 ' HB2' ' A' ' 56' ' ' TRP . 23.7 t -67.29 133.71 31.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -122.94 141.18 52.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.73 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -97.59 171.14 8.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.528 ' CA ' HG21 ' A' ' 18' ' ' THR . 24.2 mttm -155.24 159.55 31.64 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 54.7 3.73 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.489 1.784 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -175.71 33.23 0.09 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.421 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 2.4 m-20 -117.24 -171.66 2.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 0.8 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -139.84 154.56 47.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.466 ' C ' HD12 ' A' ' 97' ' ' ILE . 41.5 t -137.22 97.75 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.607 ' N ' HD12 ' A' ' 97' ' ' ILE . 1.2 mp -90.42 122.91 42.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 11.7 t -106.09 96.8 6.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 108.314 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.464 ' CE1' ' HE2' ' A' ' 47' ' ' LYS . 7.6 p90 -138.71 175.92 9.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 111.053 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -121.48 128.63 52.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 110.279 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.13 120.05 37.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.251 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.87 132.74 55.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -86.33 157.28 19.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.835 HG22 ' HD2' ' A' ' 105' ' ' PRO . 0.5 OUTLIER 59.99 163.12 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.835 ' HD2' HG22 ' A' ' 104' ' ' VAL . 18.5 Cg_endo -75.02 159.18 41.59 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.469 1.773 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.0 t -129.32 146.41 51.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.138 . . . . 0.0 110.354 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.29 111.67 17.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 66.0 p -131.05 117.47 19.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.433 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 53.0 p -79.32 -58.3 3.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.996 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 45.41 80.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -123.67 123.63 26.3 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.165 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 69.56 5.55 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.465 1.771 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -124.24 131.61 7.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -83.18 149.68 26.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 0.783 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 52.5 p -134.95 -58.9 0.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 89.5 169.01 43.82 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.426 1.079 . . . . 0.0 110.957 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 145.32 31.22 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.516 1.798 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.18 -58.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.007 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 43.4 m -111.51 -58.51 2.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.0 m -56.34 148.4 18.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.985 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -140.9 -62.43 0.48 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.975 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.89 125.98 1.11 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.52 1.137 . . . . 0.0 110.963 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.0 p -168.83 102.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.756 . . . . 0.0 109.975 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.3 p -117.4 19.32 14.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.013 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.38 128.46 4.17 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -51.22 154.03 3.07 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.46 0.741 . . . . 0.0 110.962 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 125.8 9.54 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.545 1.813 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.2 mt -78.33 -44.01 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -165.45 134.56 3.35 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -100.58 125.46 46.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 0.788 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.91 143.0 42.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.95 133.63 55.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.613 HD13 ' HB3' ' A' ' 90' ' ' PHE . 47.7 mt -79.95 126.92 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.612 HD11 ' HB2' ' A' ' 34' ' ' ARG . 8.0 mt -103.84 -34.07 8.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -145.34 155.03 42.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.513 HG21 ' N ' ' A' ' 91' ' ' LYS . 28.7 p -140.38 137.34 33.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.374 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 10.1 p90 -152.98 -178.57 7.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -119.67 163.08 17.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.432 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.621 HG22 HG23 ' A' ' 30' ' ' VAL . 3.6 m -138.39 160.88 31.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.7 m -115.12 126.62 54.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.416 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -148.03 98.78 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.309 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.09 56.44 4.03 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.0 mttt 51.07 28.28 3.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 0.775 . . . . 0.0 109.273 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 mtmm -119.11 170.19 9.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.37 92.61 3.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.533 ' O ' HG22 ' A' ' 21' ' ' VAL . 4.4 mp -94.51 119.68 66.02 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 122.94 7.53 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.458 1.767 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.621 HG23 HG22 ' A' ' 21' ' ' VAL . 78.1 t -105.38 157.45 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.826 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -136.7 119.1 15.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.23 119.35 33.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.2 p -131.12 152.9 49.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 108.304 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.612 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -109.77 117.25 33.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.5 t -51.44 120.71 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -94.37 -34.96 12.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 110.332 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -148.36 143.12 26.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.14 -137.9 27.19 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.46 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 6.9 pt20 -154.45 174.22 15.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.3 mt -116.89 124.62 49.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -110.82 129.65 55.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.441 ' CG ' ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -78.02 82.59 4.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 177.04 -56.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.579 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -52.71 -176.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.55 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 5.2 mttt -98.19 164.61 12.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 98' ' ' CYS . 28.5 m-85 -148.58 173.65 12.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.691 ' HD2' HD11 ' A' ' 49' ' ' ILE . 15.4 pttm -160.88 147.03 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.567 HD21 ' HA ' ' A' ' 90' ' ' PHE . 20.7 tp -103.79 107.24 18.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.691 HD11 ' HD2' ' A' ' 47' ' ' LYS . 3.1 mp -92.0 121.18 42.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.557 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 2.6 ttm180 -131.62 111.24 11.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.097 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.557 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 4.5 t30 87.03 -12.34 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 130.05 -22.88 4.74 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -106.43 147.17 29.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 0.716 . . . . 0.0 110.343 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.506 HG12 HG13 ' A' ' 49' ' ' ILE . 0.6 OUTLIER -79.29 147.61 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.518 ' CD1' ' O ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -114.72 -15.51 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.874 ' CD2' HD22 ' A' ' 83' ' ' LEU . 53.1 t90 -146.89 138.94 24.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 107.994 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.1 131.81 37.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.488 ' O ' ' CH2' ' A' ' 56' ' ' TRP . . . 141.37 -164.79 26.53 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.472 1.107 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.35 151.58 21.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 110.012 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.919 HD22 ' HB2' ' A' ' 81' ' ' LEU . 0.8 OUTLIER -67.84 167.69 13.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.468 ' CG2' ' HB3' ' A' ' 84' ' ' ASP . 24.0 p -104.53 -19.85 13.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.354 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.8 m -161.64 169.45 21.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.441 ' HB3' ' CG ' ' A' ' 42' ' ' ARG . 10.2 tp -169.4 122.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -132.95 149.23 52.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.541 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 33.8 t60 -112.21 52.23 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.593 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 64.45 101.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.576 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.15 67.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 173.79 101.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -71.68 82.75 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.715 ' CG2' HD11 ' A' ' 73' ' ' ILE . 9.5 tt -90.67 169.27 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 m -118.1 -39.92 3.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.987 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.8 t -116.79 135.1 58.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.715 HD11 ' CG2' ' A' ' 70' ' ' ILE . 19.8 mm -113.38 116.72 53.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -73.38 -175.35 1.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 57.0 m -78.9 144.08 35.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.415 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.85 12.94 84.12 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.5 mmm -106.35 127.57 53.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 111.039 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.93 129.77 35.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 18.9 p -143.79 157.15 44.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 0.0 108.305 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -116.32 130.34 8.95 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.919 ' HB2' HD22 ' A' ' 60' ' ' LEU . 4.4 pp -121.91 151.18 40.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 p -130.49 134.81 47.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.051 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.874 HD22 ' CD2' ' A' ' 56' ' ' TRP . 13.3 mt -86.35 164.05 17.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.468 ' HB3' ' CG2' ' A' ' 61' ' ' THR . 2.2 p30 -90.99 41.54 1.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.636 ' O ' HG12 ' A' ' 88' ' ' VAL . 3.4 tp10 -159.88 130.53 5.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.46 -33.65 25.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -48.12 -45.93 33.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.346 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.636 HG12 ' O ' ' A' ' 85' ' ' GLU . 12.2 p -64.9 144.09 15.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -141.37 122.28 14.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.826 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 3.5 m-85 -76.04 -178.72 4.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.978 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.513 ' N ' HG21 ' A' ' 18' ' ' THR . 0.1 OUTLIER -172.02 155.7 3.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 54.75 3.76 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -177.37 34.09 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -120.71 -172.25 2.34 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.484 0.755 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -138.68 146.83 42.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 110.319 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.7 t -127.84 99.15 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.8 mm -86.93 132.57 32.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.56 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 9.4 t -117.14 96.14 5.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 108.3 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -119.0 171.44 8.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.01 170.64 9.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -120.5 110.4 16.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -91.57 -63.83 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.06 145.1 5.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.8 m -41.51 155.7 0.22 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 169.64 22.19 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.485 1.782 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 72.0 p -121.53 114.33 21.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.381 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.3 tppt? -40.84 153.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.7 m 62.89 112.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 110.386 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.3 96.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.958 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 27.3 m95 -97.07 153.9 17.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 108.06 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -143.14 108.26 5.33 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 135.65 19.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.465 1.771 . . . . 0.0 110.986 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 128.21 152.33 7.78 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 110.952 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -73.14 161.19 30.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.773 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.95 176.18 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 110.063 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.49 92.9 2.26 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.115 . . . . 0.0 111.033 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 67.65 5.85 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.504 1.792 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.0 t -137.12 122.33 19.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.031 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.43 159.93 28.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.028 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m -69.15 138.85 54.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 0.771 . . . . 0.0 109.992 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 p -143.55 119.63 10.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.91 -102.24 2.61 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.0 p -174.44 112.29 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.753 . . . . 0.0 109.98 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.69 141.18 50.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.018 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.68 164.37 31.63 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -93.13 152.73 41.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.444 0.732 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.404 ' HA ' ' CB ' ' A' ' 99' ' ' TYR . 18.2 Cg_endo -75.0 128.49 11.52 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.494 1.786 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.965 HD12 ' HA ' ' A' ' 99' ' ' TYR . 2.7 mt -69.74 -31.92 50.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 179.55 142.13 4.87 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.445 ' HB2' ' CE ' ' A' ' 37' ' ' LYS . 35.4 mt-10 -106.32 146.21 30.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.766 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 96' ' ' VAL . . . -141.2 135.01 30.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 33' ' ' CYS . 3.5 m -105.51 161.52 14.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.595 HD13 ' HB3' ' A' ' 90' ' ' PHE . 88.6 mt -101.9 124.48 55.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.822 HD11 ' HB2' ' A' ' 34' ' ' ARG . 6.5 mt -98.91 -37.85 9.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -145.35 151.45 38.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.637 HG21 ' CA ' ' A' ' 91' ' ' LYS . 30.7 p -133.93 135.9 43.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.457 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.469 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 14.1 p90 -153.6 -178.06 6.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.654 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.7 m -124.04 163.27 21.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.42 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.57 HG22 HG23 ' A' ' 30' ' ' VAL . 8.0 m -133.79 157.61 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.4 m -116.54 133.6 55.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.391 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -145.96 100.7 3.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . 75.38 40.88 32.1 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 111.034 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 4.2 tttt 87.2 -45.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.575 ' CG ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -58.76 167.89 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.266 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 0.1 OUTLIER -132.52 108.12 8.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.616 ' N ' HD12 ' A' ' 28' ' ' ILE . 4.0 mp -94.69 129.89 34.93 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.654 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.2 Cg_endo -75.03 138.81 23.44 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.57 HG23 HG22 ' A' ' 21' ' ' VAL . 51.5 t -129.52 154.8 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.663 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -139.66 119.52 13.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.88 115.49 26.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 14' ' ' SER . 1.3 p -124.79 149.13 47.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 108.3 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.822 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -112.18 121.94 46.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.479 HG21 HG22 ' A' ' 73' ' ' ILE . 30.6 t -60.02 119.3 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -99.69 -28.78 13.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.285 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.445 ' CE ' ' HB2' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -150.97 139.57 20.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.08 -147.23 42.56 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -143.82 170.16 16.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.763 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.0 mt -117.63 124.83 49.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -109.22 165.36 11.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.2 69.27 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -179.97 -45.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.657 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -52.09 175.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.558 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.4 OUTLIER -95.06 156.11 16.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.558 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 18.9 m-85 -146.22 171.61 14.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 111.054 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.632 ' HD2' HD11 ' A' ' 49' ' ' ILE . 0.4 OUTLIER -163.7 150.7 12.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.81 HD23 HG13 ' A' ' 55' ' ' ILE . 25.7 tp -105.0 120.39 41.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.704 ' N ' HD12 ' A' ' 49' ' ' ILE . 2.1 mp -106.77 117.13 51.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 8.3 ttm180 -123.66 114.22 19.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 0.6 OUTLIER 77.15 1.0 3.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.82 -15.19 24.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.446 1.091 . . . . 0.0 111.049 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -99.73 146.52 26.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.666 HG22 HG13 ' A' ' 49' ' ' ILE . 78.3 t -86.72 135.6 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.81 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -108.09 -33.48 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.859 ' CG ' HD13 ' A' ' 83' ' ' LEU . 69.7 t90 -137.8 135.54 36.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 107.99 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -137.92 113.76 9.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.465 ' O ' ' CH2' ' A' ' 56' ' ' TRP . . . 167.41 -166.77 39.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 p -91.79 152.68 20.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 109.96 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.675 HD22 HD13 ' A' ' 81' ' ' LEU . 15.2 mt -74.8 153.89 38.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 59.7 p -90.77 -27.72 18.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 110.398 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.7 m -157.69 157.24 33.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.4 tp -154.11 115.26 4.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -131.83 155.7 47.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.606 ' CD2' ' O ' ' A' ' 78' ' ' ASP . 64.4 t-80 -112.32 46.05 1.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.567 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 70.06 107.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.598 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.0 tttm 41.94 64.99 0.95 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 173.55 94.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.243 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.37 82.91 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.613 HG21 HD11 ' A' ' 73' ' ' ILE . 13.8 tt -91.84 167.27 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.9 t -115.7 -36.37 4.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.981 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.2 t -117.52 142.26 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.613 HD11 HG21 ' A' ' 70' ' ' ILE . 19.0 mm -122.01 117.34 52.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.098 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -73.49 -178.02 2.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 73.0 m -79.13 145.49 33.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.404 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 75.39 18.0 80.03 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.453 ' SD ' ' NE2' ' A' ' 65' ' ' HIS . 4.2 mmm -109.97 136.67 48.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.606 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 0.4 OUTLIER -94.57 127.51 40.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 14.2 p -140.73 156.37 46.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 108.324 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -118.85 128.73 7.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.153 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.675 HD13 HD22 ' A' ' 60' ' ' LEU . 4.6 pp -121.25 163.53 18.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.43 0.723 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 12.8 p -145.06 145.15 31.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.97 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.859 HD13 ' CG ' ' A' ' 56' ' ' TRP . 10.1 mt -97.42 147.04 24.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.18 -26.04 67.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.27 92.03 7.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.264 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -56.45 -18.75 12.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -44.59 91.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.607 HG11 ' HB2' ' A' ' 56' ' ' TRP . 47.5 t -66.77 128.6 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -120.65 136.53 54.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 110.263 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.663 ' CD2' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -89.48 -172.73 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.637 ' CA ' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -175.09 158.66 2.18 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 58.23 4.85 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.461 1.769 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -178.35 35.07 0.08 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.455 ' HB2' HD12 ' A' ' 15' ' ' ILE . 24.8 m-20 -126.44 179.91 5.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.784 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -133.31 154.18 50.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 13' ' ' ALA . 24.9 t -130.82 98.69 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.572 ' N ' HD12 ' A' ' 97' ' ' ILE . 1.2 mp -86.27 114.64 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.498 ' SG ' ' CE2' ' A' ' 46' ' ' PHE . 38.7 t -99.49 97.14 8.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 108.336 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.965 ' HA ' HD12 ' A' ' 10' ' ' ILE . 3.1 p90 -144.69 176.21 9.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 111.041 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.22 152.6 21.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.6 81.65 1.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -135.36 163.83 29.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -89.32 140.43 29.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 0.9 OUTLIER -170.65 131.6 0.89 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 104' ' ' VAL . 18.3 Cg_endo -75.0 94.35 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.498 1.789 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.1 t -66.13 174.33 2.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.403 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -136.45 -59.05 0.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 16.4 m -50.66 155.69 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 110.411 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.58 85.68 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -166.99 129.16 1.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 108.015 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -128.38 150.69 74.96 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 161.48 38.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.447 1.762 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -174.19 71.5 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -145.62 134.57 22.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 0.779 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.83 146.49 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.013 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -170.93 71.24 0.12 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -46.95 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.776 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.9 t -169.25 -58.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.04 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.11 150.26 52.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.007 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.455 1.097 . . . . 0.0 111.039 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.52 145.82 30.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 110.006 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m -83.78 139.26 32.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.025 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.17 -100.92 2.62 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.9 p -158.54 127.22 5.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 0.756 . . . . 0.0 109.995 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.3 t -132.19 116.98 17.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.033 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.54 -156.35 29.46 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -101.97 155.18 36.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.759 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 134.73 18.09 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.445 1.76 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.509 HD11 ' HB2' ' A' ' 100' ' ' GLU . 23.3 mt -77.26 -43.81 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.409 ' CA ' ' HA3' ' A' ' 38' ' ' GLY . . . -163.41 142.02 7.55 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -101.89 161.57 13.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 110.347 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.663 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . . . -149.86 148.36 29.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.38 128.68 49.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.553 HD13 ' HB3' ' A' ' 90' ' ' PHE . 56.8 mt -77.27 116.36 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.77 HD11 ' HB2' ' A' ' 34' ' ' ARG . 15.3 mt -90.18 -35.79 15.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -147.32 163.85 35.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.468 HG22 ' CG2' ' A' ' 15' ' ' ILE . 15.3 p -142.39 146.75 35.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.163 . . . . 0.0 110.396 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.55 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 22.9 p90 -165.06 -177.34 4.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.459 HG23 ' HA ' ' A' ' 29' ' ' PRO . 11.1 m -122.28 169.14 11.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 110.391 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.64 HG22 HG23 ' A' ' 30' ' ' VAL . 5.2 m -142.17 159.2 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.5 m -112.8 135.35 53.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -140.34 99.16 3.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.25 -49.97 4.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -174.19 -40.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.302 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.419 ' CG ' ' N ' ' A' ' 27' ' ' LYS . 3.3 ttpm? -67.78 158.98 31.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.419 ' N ' ' CG ' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -118.68 105.44 11.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.574 ' O ' HG22 ' A' ' 21' ' ' VAL . 3.7 mp -92.18 122.49 64.78 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.459 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.2 Cg_endo -75.02 123.62 8.01 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.789 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.64 HG23 HG22 ' A' ' 21' ' ' VAL . 70.2 t -107.15 157.78 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.41 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -138.02 116.22 11.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.07 121.74 29.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 p -133.91 153.39 51.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 108.311 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.77 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -107.68 127.01 53.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.33 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.755 HG22 HD23 ' A' ' 40' ' ' LEU . 89.7 t -67.84 112.98 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -87.02 -43.64 12.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.52 147.47 31.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.409 ' HA3' ' CA ' ' A' ' 11' ' ' GLY . . . 78.22 -142.59 26.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.731 ' C ' HD22 ' A' ' 40' ' ' LEU . 8.0 pt20 -160.45 154.2 22.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 0.746 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.755 HD23 HG22 ' A' ' 35' ' ' VAL . 0.6 OUTLIER -115.18 123.32 48.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.552 ' HG3' HG22 ' A' ' 72' ' ' VAL . 1.1 tt0 -102.16 178.25 4.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.02 58.35 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.411 ' O ' ' O ' ' A' ' 44' ' ' LYS . 37.1 t-80 -175.8 -44.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.614 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 43' ' ' HIS . 32.1 mmtt -51.81 -176.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.559 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 1.2 mttt -101.03 155.26 18.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.559 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 25.2 m-85 -150.23 177.29 10.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.52 ' HD2' HD11 ' A' ' 49' ' ' ILE . 1.3 pttt -161.99 152.38 17.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.9 HD23 HG13 ' A' ' 55' ' ' ILE . 16.9 tp -104.08 118.27 36.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.872 HD13 HD13 ' A' ' 97' ' ' ILE . 2.8 mp -104.1 115.51 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 20.4 ttp85 -121.17 111.43 17.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.575 1.172 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 0.8 OUTLIER 78.42 1.0 2.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.23 -16.9 22.15 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -97.06 148.06 23.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 0.737 . . . . 0.0 110.335 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 t -87.74 136.55 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.257 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.9 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -109.07 -43.08 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 1.031 ' CG ' HD13 ' A' ' 83' ' ' LEU . 22.5 t90 -126.66 139.72 52.95 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.98 132.12 31.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.364 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 147.07 -162.42 28.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.6 m -96.72 148.12 23.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 0.724 . . . . 0.0 109.985 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.509 HD22 HD13 ' A' ' 81' ' ' LEU . 12.4 mt -72.67 163.09 28.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.352 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.69 HG21 ' HB2' ' A' ' 84' ' ' ASP . 76.4 p -110.34 -17.38 13.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.431 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -153.45 159.8 42.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.021 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.7 tp -169.13 106.43 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -117.15 156.3 27.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.363 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.501 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 3.0 t60 -109.99 71.5 0.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.645 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 75.6 -71.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.606 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.97 57.58 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -165.18 118.82 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -71.53 81.81 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.762 ' CG2' HD11 ' A' ' 73' ' ' ILE . 13.0 tt -93.85 171.33 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 1.1 t -114.53 -37.46 4.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.97 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.552 HG22 ' HG3' ' A' ' 41' ' ' GLU . 21.2 t -117.11 151.64 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.762 HD11 ' CG2' ' A' ' 70' ' ' ILE . 17.5 mm -132.86 108.04 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -72.51 -174.58 1.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 92.0 m -77.35 146.7 36.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.56 -1.27 72.84 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.1 mmm -95.36 128.33 42.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.63 135.42 33.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 109.238 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.537 ' SG ' HG21 ' A' ' 73' ' ' ILE . 29.5 p -152.22 163.64 39.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.162 . . . . 0.0 108.3 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -124.44 134.04 8.92 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.565 HD21 HG21 ' A' ' 96' ' ' VAL . 4.4 pp -121.05 157.68 29.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 0.785 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 m -144.35 133.08 22.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.975 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.031 HD13 ' CG ' ' A' ' 56' ' ' TRP . 3.2 mt -90.17 140.22 29.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.69 ' HB2' HG21 ' A' ' 61' ' ' THR . 14.1 t70 -50.35 -24.93 3.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -87.69 133.65 33.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.327 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -94.03 -25.59 17.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.35 -44.37 80.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.711 HG11 HD12 ' A' ' 83' ' ' LEU . 9.7 p -64.97 124.44 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -116.5 137.77 51.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.553 ' HB3' HD13 ' A' ' 15' ' ' ILE . 0.9 OUTLIER -96.51 166.49 11.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 111.034 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -150.15 157.96 36.94 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 55.12 3.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.508 1.793 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.13 33.84 0.09 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -118.04 -168.61 1.54 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 9.4 mt-30 -147.42 148.06 30.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.663 ' HB ' ' HB3' ' A' ' 13' ' ' ALA . 2.5 t -120.44 99.13 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.872 HD13 HD13 ' A' ' 49' ' ' ILE . 1.2 mp -87.76 132.31 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.42 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 8.0 t -115.51 101.37 8.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.303 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -123.87 165.75 16.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.509 ' HB2' HD11 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -114.02 142.29 46.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 110.275 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -78.92 91.68 4.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 110.27 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -161.75 134.58 6.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.77 144.27 31.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.673 HG23 ' HD2' ' A' ' 105' ' ' PRO . 2.6 p -125.02 142.13 40.36 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.673 ' HD2' HG23 ' A' ' 104' ' ' VAL . 18.3 Cg_endo -75.0 112.84 3.66 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.518 1.799 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.2 t -147.43 147.81 30.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.371 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.14 -31.45 14.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.5 t -171.5 152.78 3.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.392 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.0 p -109.07 83.05 1.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.957 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -51.23 139.12 19.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 107.96 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -155.14 129.9 5.0 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.347 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.04 19.09 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.497 1.788 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 120.57 129.13 3.7 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.46 1.1 . . . . 0.0 110.965 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -163.97 111.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 0.782 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.4 t 50.06 86.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.029 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -121.76 101.44 0.76 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.47 1.106 . . . . 0.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -36.58 2.53 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.519 1.8 . . . . 0.0 111.048 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 52.82 93.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.36 130.69 43.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 0.0 110.961 179.926 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 t -91.17 87.54 6.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 t -58.17 140.99 51.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.014 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.94 142.55 9.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.146 . . . . 0.0 110.973 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.79 170.29 1.96 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 0.762 . . . . 0.0 109.984 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -134.12 106.43 7.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.04 154.34 16.78 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -55.97 154.87 13.19 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.555 0.797 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 128.85 11.79 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.466 1.772 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.6 mt -67.74 -38.17 79.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -177.72 144.02 6.39 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.464 1.102 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -104.71 171.13 7.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 0.739 . . . . 0.0 110.344 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.876 ' CB ' HD11 ' A' ' 40' ' ' LEU . . . -161.58 133.25 5.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 m -99.82 144.81 28.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.635 HD13 ' HB3' ' A' ' 90' ' ' PHE . 59.4 mt -90.34 118.47 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.633 HD11 ' HB2' ' A' ' 34' ' ' ARG . 7.9 mt -91.93 -40.11 11.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -143.86 159.17 43.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.483 HG22 ' CG2' ' A' ' 15' ' ' ILE . 24.7 p -142.91 134.72 26.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.401 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -152.12 -177.81 6.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.5 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.8 m -119.09 163.34 17.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.637 HG22 HG23 ' A' ' 30' ' ' VAL . 4.9 m -139.51 160.22 27.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.403 ' O ' ' OE1' ' A' ' 23' ' ' GLU . 10.0 m -101.88 133.14 47.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.402 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' A' ' 22' ' ' THR . 6.7 mm-40 -145.68 98.95 3.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.18 33.89 48.09 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.499 1.124 . . . . 0.0 111.051 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 74.61 15.41 3.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.456 ' HE3' HD11 ' A' ' 28' ' ' ILE . 3.2 mtmt -106.68 -179.68 4.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.588 ' C ' HD13 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -124.07 100.48 6.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.588 HD13 ' C ' ' A' ' 27' ' ' LYS . 2.7 mm -100.09 118.33 61.67 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.5 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.3 Cg_endo -75.0 130.89 13.7 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.637 HG23 HG22 ' A' ' 21' ' ' VAL . 76.5 t -120.85 157.57 23.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.946 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -138.27 116.81 12.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.09 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.66 111.28 21.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.5 p -122.6 145.43 48.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 108.319 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.633 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -103.92 119.94 39.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 110.273 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.575 HG21 HG22 ' A' ' 73' ' ' ILE . 47.9 t -60.99 116.77 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -92.67 -35.61 13.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -148.68 143.5 26.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.06 -147.14 49.0 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.563 1.165 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.488 ' NE2' HG11 ' A' ' 72' ' ' VAL . 9.9 pt20 -143.07 167.86 21.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.876 HD11 ' CB ' ' A' ' 13' ' ' ALA . 35.0 mt -116.63 122.61 45.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.524 ' HG2' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -78.83 178.6 7.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.424 ' HD2' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -110.66 -35.48 5.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -92.57 -36.37 13.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.562 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.43 ' CG ' ' CB ' ' A' ' 41' ' ' GLU . 26.7 mmtt -44.74 168.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.577 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 1.5 mptp? -91.84 154.82 18.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.577 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 23.3 m-85 -148.56 174.41 12.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.2 pttt -160.31 151.05 18.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.649 HD23 HG13 ' A' ' 55' ' ' ILE . 24.8 tp -104.09 119.75 39.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.737 ' N ' HD12 ' A' ' 49' ' ' ILE . 2.3 mp -107.2 116.13 50.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 27.8 ttp85 -121.52 112.12 18.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 4.3 t30 78.16 1.36 2.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.75 -15.03 26.75 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -95.95 149.11 21.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 0.726 . . . . 0.0 110.277 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 t -90.49 132.43 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.649 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -105.98 -41.9 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.985 ' CG ' HD13 ' A' ' 83' ' ' LEU . 71.5 t90 -125.42 138.01 54.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 108.001 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.38 113.59 9.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 168.28 -152.36 20.35 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.74 146.24 36.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.777 . . . . 0.0 110.013 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.991 HD22 HD13 ' A' ' 81' ' ' LEU . 18.8 mt -64.84 154.67 36.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.6 p -92.3 -27.05 17.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.422 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.9 m -158.33 176.83 11.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.97 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.424 ' N ' ' HD2' ' A' ' 42' ' ' ARG . 3.9 tp -176.23 107.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -116.08 153.32 31.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.505 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 2.1 t60 -104.39 59.27 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.609 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.49 ' CB ' ' O ' ' A' ' 65' ' ' HIS . 24.8 t-80 86.27 -65.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.635 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -152.5 73.55 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 174.94 151.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.32 82.65 2.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.418 ' CG2' HD11 ' A' ' 73' ' ' ILE . 9.2 tt -97.13 162.14 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.0 p -92.2 -58.4 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.524 HG12 ' HG2' ' A' ' 41' ' ' GLU . 15.2 m -105.04 167.02 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.575 HG22 HG21 ' A' ' 35' ' ' VAL . 23.5 mm -132.48 101.62 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -54.02 177.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.258 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.2 m -74.56 150.33 39.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.373 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.54 -1.96 59.79 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.1 mmm -89.1 135.66 33.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 0.736 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.11 124.22 45.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 30.9 p -141.98 161.25 38.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 108.277 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -125.66 123.89 5.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.991 HD13 HD22 ' A' ' 60' ' ' LEU . 4.6 pp -112.91 169.41 8.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.3 p -146.61 153.89 40.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.014 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.985 HD13 ' CG ' ' A' ' 56' ' ' TRP . 11.7 mt -106.34 143.49 34.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -53.6 -22.47 8.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -94.85 134.49 37.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -90.6 -32.85 16.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.347 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.92 -45.71 51.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.616 HG21 ' HB2' ' A' ' 56' ' ' TRP . 9.3 p -65.96 130.72 31.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -128.19 131.87 48.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.946 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 1.6 m-85 -81.69 150.69 27.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -133.15 155.41 81.01 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 55.02 3.82 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.543 1.812 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.88 33.88 0.08 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -121.81 -175.76 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.789 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -133.59 155.61 49.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.426 ' C ' HD12 ' A' ' 97' ' ' ILE . 21.2 t -133.51 99.01 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.637 ' N ' HD12 ' A' ' 97' ' ' ILE . 1.3 mp -88.44 122.39 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.496 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 31.8 t -105.98 98.6 8.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.299 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -133.08 176.09 8.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.43 129.28 52.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -58.75 6.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -82.28 148.21 28.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.14 87.46 3.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.7 m -70.58 153.13 95.16 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 152.7 41.0 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.461 1.769 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.6 t -125.56 165.29 18.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.372 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -143.11 144.2 32.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.3 m 46.95 79.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.393 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 46.3 t -147.06 117.18 7.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.977 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 6.5 t-105 -165.35 100.54 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.14 154.23 37.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -42.34 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 49.83 -163.69 0.66 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -132.77 -52.92 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 0.785 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.89 90.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -162.16 -160.47 11.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.62 42.71 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.514 1.797 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 68.0 p -165.41 113.37 0.98 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.975 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.88 153.61 40.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.97 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.526 1.142 . . . . 0.0 111.0 179.97 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.76 -58.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.78 . . . . 0.0 109.974 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.8 138.54 57.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.007 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.34 101.17 0.57 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.125 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.61 117.37 9.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 0.763 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -176.56 -57.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.943 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.14 149.3 0.58 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -100.94 155.15 36.64 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.565 0.803 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 127.73 10.92 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.511 1.795 . . . . 0.0 111.026 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.428 ' N ' ' O ' ' A' ' 98' ' ' CYS . 70.0 mt -68.99 -42.35 82.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 177.84 144.42 5.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.564 1.165 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -100.64 164.74 11.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.585 ' CB ' HD11 ' A' ' 40' ' ' LEU . . . -158.73 134.24 8.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.2 m -100.94 149.69 23.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.006 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.669 HD13 ' HB3' ' A' ' 90' ' ' PHE . 53.2 mt -91.98 119.59 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.712 HD11 ' HB2' ' A' ' 34' ' ' ARG . 10.6 mt -91.43 -36.4 13.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.26 163.15 39.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.417 HG22 ' CG2' ' A' ' 15' ' ' ILE . 19.1 p -142.38 138.69 31.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.445 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -155.26 -177.87 6.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 m -117.4 165.5 13.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.409 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 28' ' ' ILE . 6.7 m -136.3 158.45 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.3 m -116.32 136.99 52.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.383 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -141.97 99.3 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 110.316 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.24 -48.09 3.98 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.41 -39.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.65 175.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.03 106.08 7.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.698 ' N ' HD12 ' A' ' 28' ' ' ILE . 3.0 mp -97.21 127.66 37.72 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 28' ' ' ILE . 18.4 Cg_endo -74.95 142.74 28.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.517 HG23 HG22 ' A' ' 21' ' ' VAL . 56.0 t -132.09 152.29 36.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.815 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -132.55 115.18 15.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.75 116.8 22.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.7 p -127.92 145.12 51.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 108.283 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.712 ' HB2' HD11 ' A' ' 16' ' ' LEU . 1.6 tpt180 -105.66 115.75 30.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.58 HG21 HG22 ' A' ' 73' ' ' ILE . 86.9 t -56.31 118.65 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 109.326 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -93.45 -37.08 12.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -144.62 147.13 32.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.08 -146.29 45.55 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.45 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 8.3 pt20 -143.83 170.78 15.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 0.777 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.585 HD11 ' CB ' ' A' ' 13' ' ' ALA . 16.8 mt -116.03 122.75 46.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.51 ' O ' HD22 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -75.5 171.14 14.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.412 1.07 . . . . 0.0 110.325 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.542 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -111.13 122.53 48.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 110.282 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.542 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 2.0 t60 90.41 -24.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.566 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.465 ' HG3' ' CB ' ' A' ' 41' ' ' GLU . 37.0 mmtt -49.92 179.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.574 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 5.8 mptt -90.53 141.49 28.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.574 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 21.8 m-85 -148.03 179.11 7.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -162.22 152.03 16.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.833 HD23 HG13 ' A' ' 55' ' ' ILE . 28.8 tp -104.21 121.31 43.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.777 ' N ' HD12 ' A' ' 49' ' ' ILE . 1.8 mp -110.85 113.06 43.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 21.2 ttm180 -119.96 113.47 20.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.26 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 7.8 m-20 77.66 1.27 2.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.08 -14.95 28.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -94.91 149.24 21.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 0.785 . . . . 0.0 110.296 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.5 t -92.25 126.36 44.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.833 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -99.87 -41.85 9.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.779 ' CG ' HD13 ' A' ' 83' ' ' LEU . 59.8 t90 -128.3 135.88 50.22 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.95 115.93 11.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 169.19 -145.4 9.38 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.42 141.2 48.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 0.736 . . . . 0.0 109.996 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.994 HD22 HD13 ' A' ' 81' ' ' LEU . 67.1 mt -59.25 168.55 1.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.9 p -108.21 -23.17 12.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.384 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -167.38 156.16 9.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.51 HD22 ' O ' ' A' ' 41' ' ' GLU . 14.9 tp -155.33 105.09 2.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -115.25 162.09 17.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.514 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 3.5 t60 -112.76 62.11 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.608 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 75.19 -72.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.617 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -146.06 74.59 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.168 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 169.97 116.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.07 81.94 0.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.9 tt -95.81 160.11 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.25 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.79 -58.69 2.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.469 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 10.3 m -102.82 163.46 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.58 HG22 HG21 ' A' ' 35' ' ' VAL . 28.6 mm -128.08 101.63 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -58.14 176.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.3 m -73.43 145.15 45.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.94 -11.64 56.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.135 . . . . 0.0 110.961 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.432 ' SD ' ' CE1' ' A' ' 65' ' ' HIS . 2.6 mmm -83.23 128.68 34.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.65 127.62 38.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 27.1 p -141.23 159.71 41.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 108.318 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -126.54 121.4 4.01 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.547 1.155 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.994 HD13 HD22 ' A' ' 60' ' ' LEU . 4.5 pp -109.91 168.07 9.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 0.788 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 29.3 t -144.81 150.53 37.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.779 HD13 ' CG ' ' A' ' 56' ' ' TRP . 5.4 mt -103.39 148.03 26.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -63.12 -21.99 66.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -99.86 77.32 2.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.14 -27.0 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -48.79 -47.91 41.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.745 HG11 ' HB2' ' A' ' 56' ' ' TRP . 44.9 t -65.35 127.04 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -116.17 135.44 53.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.343 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.815 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -87.7 162.8 16.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 111.042 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -143.67 156.6 59.59 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 54.8 3.74 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.501 1.79 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -177.54 34.27 0.08 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.549 1.156 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.08 -168.14 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 0.73 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' ILE . 17.3 mt-30 -143.2 153.87 43.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.508 ' C ' HD12 ' A' ' 97' ' ' ILE . 24.7 t -133.97 99.46 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.64 ' N ' HD12 ' A' ' 97' ' ' ILE . 1.3 mp -92.78 113.68 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.464 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 34.2 t -92.95 120.79 33.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 108.292 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -143.58 175.0 10.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -131.52 134.37 46.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.348 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -83.0 86.61 6.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -159.64 166.22 31.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.63 118.99 20.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.471 HG23 ' HD2' ' A' ' 105' ' ' PRO . 2.2 p -162.42 137.03 5.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.471 ' HD2' HG23 ' A' ' 104' ' ' VAL . 18.4 Cg_endo -74.95 148.37 35.43 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.6 p -122.26 106.07 10.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -82.03 -58.03 3.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 48.3 m 43.36 80.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.376 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.83 80.91 1.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.995 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -128.61 153.65 47.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 108.0 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -155.34 140.2 12.04 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 153.76 42.01 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.453 1.765 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 142.53 135.89 3.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.536 1.148 . . . . 0.0 110.955 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 53.35 175.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 0.766 . . . . 0.0 110.994 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.5 m 62.06 113.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.976 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -142.54 -158.72 7.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.449 1.093 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 161.92 37.92 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 30.5 t -173.18 153.05 2.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 67.6 m -142.51 152.04 42.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 55.42 81.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 110.0 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.1 t -154.18 93.62 1.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.001 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.29 105.99 0.2 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.23 123.62 45.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 0.779 . . . . 0.0 109.997 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.7 p -137.23 139.12 40.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.29 -175.01 46.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.526 1.142 . . . . 0.0 111.026 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -122.15 154.37 61.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 131.49 14.35 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.491 1.785 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.7 mt -73.43 -42.41 56.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -172.1 146.3 9.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -108.32 163.5 13.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.62 131.0 15.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.56 139.54 33.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 110.04 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.647 HD13 ' HB3' ' A' ' 90' ' ' PHE . 42.7 mt -85.17 118.98 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.748 HD11 ' HB2' ' A' ' 34' ' ' ARG . 9.1 mt -92.21 -39.95 11.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -143.27 152.62 41.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.616 HG21 ' CA ' ' A' ' 91' ' ' LYS . 29.9 p -133.96 138.43 45.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.418 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 7.2 p90 -161.45 178.48 9.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.078 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.544 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.8 m -116.14 163.03 16.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.528 HG22 HG23 ' A' ' 30' ' ' VAL . 3.2 m -130.35 161.3 40.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.8 m -121.39 137.17 54.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.369 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.628 ' HG3' HD13 ' A' ' 28' ' ' ILE . 2.4 mt-10 -138.34 99.31 3.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.34 -51.07 4.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -170.56 -44.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 0.761 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 163.35 9.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.92 107.44 11.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.628 HD13 ' HG3' ' A' ' 23' ' ' GLU . 3.5 mp -93.2 135.95 25.05 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.544 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.3 Cg_endo -74.99 147.53 34.08 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.799 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.528 HG23 HG22 ' A' ' 21' ' ' VAL . 51.5 t -143.07 156.03 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.77 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -141.18 115.27 9.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -82.75 102.98 11.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.2 p -113.26 163.68 14.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 108.304 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.748 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -126.25 121.33 32.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.407 HG22 ' HG ' ' A' ' 40' ' ' LEU . 89.5 t -61.29 108.87 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -86.97 -40.86 14.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.54 138.97 38.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.9 -148.73 41.89 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.448 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 11.7 pt20 -146.47 172.26 13.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.783 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.407 ' HG ' HG22 ' A' ' 35' ' ' VAL . 70.4 mt -117.23 124.72 49.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -107.95 123.85 49.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.476 ' CG ' ' HB3' ' A' ' 63' ' ' LEU . 0.8 OUTLIER -71.06 75.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 110.296 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -178.5 -48.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.594 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -55.63 -170.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.598 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 1.2 mttm -102.8 165.91 10.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.598 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 18.9 m-85 -149.68 169.73 20.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.773 ' HD2' HD11 ' A' ' 49' ' ' ILE . 4.2 pttt -163.07 151.53 14.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.66 ' C ' HD12 ' A' ' 49' ' ' ILE . 24.0 tp -104.38 122.82 46.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.773 HD11 ' HD2' ' A' ' 47' ' ' LYS . 1.7 mp -107.34 122.19 61.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.454 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 24.8 ttm180 -127.36 111.61 14.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 11.4 t-20 79.1 -0.65 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.08 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.8 -13.15 22.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -99.44 148.08 24.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.74 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.5 t -86.21 136.32 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.359 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.61 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -110.29 -43.23 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.73 ' HB2' HG21 ' A' ' 88' ' ' VAL . 66.1 t90 -126.82 135.33 50.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 107.986 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.79 129.64 28.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 153.53 -159.57 28.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.4 p -101.05 159.44 15.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 0.743 . . . . 0.0 109.965 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.523 ' HG ' ' CD1' ' A' ' 46' ' ' PHE . 88.6 mt -81.67 163.73 22.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 25.7 p -109.56 -23.78 11.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -160.99 156.5 24.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.476 ' HB3' ' CG ' ' A' ' 42' ' ' ARG . 1.2 tp -165.62 128.82 2.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -138.7 146.53 41.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -86.46 -57.31 3.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.57 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 67' ' ' LYS . 11.5 t-160 -177.45 115.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.607 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 66' ' ' HIS . 0.1 OUTLIER 39.24 34.75 0.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.28 124.63 4.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.243 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -82.03 80.97 8.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.572 ' CG2' HD11 ' A' ' 73' ' ' ILE . 10.4 tt -90.17 166.38 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.6 t -115.98 -38.47 3.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.009 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.2 t -106.59 143.58 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.572 HD11 ' CG2' ' A' ' 70' ' ' ILE . 46.1 mm -127.49 114.88 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -73.11 -177.88 2.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 43.5 m -78.34 143.96 36.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.373 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.96 3.6 88.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.3 mmm -97.4 129.83 44.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.783 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.41 138.23 31.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 27.0 p -153.36 160.9 42.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 108.306 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -121.16 134.78 10.31 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 pp -121.39 161.81 21.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.776 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.2 p -138.8 143.7 39.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.018 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.659 HD22 ' CE3' ' A' ' 56' ' ' TRP . 8.8 mt -98.74 143.33 29.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.64 -45.82 90.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 86' ' ' GLU . 8.8 tp10 -44.79 -63.6 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.532 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER 88.88 -17.69 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.254 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.34 -25.3 27.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.73 HG21 ' HB2' ' A' ' 56' ' ' TRP . 94.9 t -78.85 106.87 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -91.42 137.5 32.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.77 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 1.6 m-85 -86.79 -178.13 6.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.616 ' CA ' HG21 ' A' ' 18' ' ' THR . 0.1 OUTLIER -165.1 155.15 11.94 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 93.34 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.538 1.809 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 151.3 -20.58 0.94 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.437 ' OD1' ' CG ' ' A' ' 91' ' ' LYS . 70.8 m-20 -67.69 -175.12 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -137.8 160.19 39.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.412 ' C ' HD12 ' A' ' 97' ' ' ILE . 24.8 t -137.47 100.0 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.637 ' N ' HD12 ' A' ' 97' ' ' ILE . 1.3 mp -87.9 115.08 27.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.2 t -96.12 98.22 10.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 108.328 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -140.65 173.48 11.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -123.42 148.56 46.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -75.02 159.61 31.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 63.33 165.59 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -135.63 127.99 30.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.411 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 2.5 p -87.83 134.6 35.1 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 104' ' ' VAL . 18.6 Cg_endo -74.98 93.6 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.786 . . . . 0.0 111.053 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.8 t -109.74 -23.22 11.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.434 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.83 175.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.9 p -137.97 136.38 36.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.113 . . . . 0.0 110.396 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.9 t -133.7 108.52 8.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.022 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -122.27 94.44 4.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 107.986 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.78 145.15 44.54 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -47.23 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 66.36 -106.67 1.68 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.14 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 114' ' ' PHE . 9.1 p90 -170.48 168.77 7.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.756 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.76 166.08 33.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.973 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 129.15 79.78 0.24 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.05 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 130.04 12.92 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.794 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.7 t -135.14 84.28 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.017 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.9 m -139.54 135.43 33.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.531 1.144 . . . . 0.0 111.024 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 4' ' ' GLY . 1.4 t 53.83 91.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 0.796 . . . . 0.0 110.018 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -62.03 83.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.018 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 2' ' ' SER . . . -160.85 137.55 5.02 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -144.94 134.27 22.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 0.0 110.018 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 m -146.36 66.25 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 110.025 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.737 ' O ' ' CG ' ' A' ' 8' ' ' TYR . . . 39.76 54.72 2.86 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.737 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 5.0 p90 48.92 163.08 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.554 0.797 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 123.13 7.66 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.985 HD12 ' HA ' ' A' ' 99' ' ' TYR . 4.2 mt -67.35 -46.95 82.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -152.03 137.94 6.21 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.421 ' HG2' HD12 ' A' ' 97' ' ' ILE . 6.4 mp0 -117.27 121.25 40.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 0.736 . . . . 0.0 110.257 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.488 ' HB2' HD11 ' A' ' 40' ' ' LEU . . . -111.05 151.35 28.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.0 132.26 53.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.701 HD13 ' HB3' ' A' ' 90' ' ' PHE . 71.7 mt -75.9 119.6 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.678 HD11 ' CB ' ' A' ' 34' ' ' ARG . 8.8 mt -95.33 -35.39 11.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.23 155.65 43.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.682 HG21 ' CA ' ' A' ' 91' ' ' LYS . 42.8 p -137.27 141.57 41.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.428 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.639 ' CE1' ' CG1' ' A' ' 30' ' ' VAL . 13.3 p90 -158.79 179.0 9.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.549 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.5 m -125.19 163.55 22.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.387 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.67 HG22 HG23 ' A' ' 30' ' ' VAL . 7.0 m -139.62 158.18 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.3 m -107.8 137.89 45.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.37 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.43 ' HG3' ' CG1' ' A' ' 28' ' ' ILE . 1.2 mm-40 -134.03 99.05 4.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.06 -50.87 4.01 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.477 1.11 . . . . 0.0 111.014 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -169.71 -42.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 0.781 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.642 ' HE3' HD11 ' A' ' 28' ' ' ILE . 23.8 ttpt -71.27 163.0 28.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.463 ' N ' ' CG ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -108.8 127.53 54.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.642 HD11 ' HE3' ' A' ' 26' ' ' LYS . 26.6 mm -104.72 125.25 34.42 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.549 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.4 Cg_endo -75.0 122.7 7.37 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.67 HG23 HG22 ' A' ' 21' ' ' VAL . 78.9 t -113.28 158.03 13.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.74 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -143.52 123.41 13.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.92 120.06 37.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.6 p -131.58 149.36 52.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 108.287 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.678 ' CB ' HD11 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -111.97 120.83 43.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.48 HG21 HG22 ' A' ' 73' ' ' ILE . 75.7 t -56.12 109.6 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -86.75 -41.78 13.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -144.6 135.0 24.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.69 -156.43 36.68 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -141.09 165.38 27.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.488 HD11 ' HB2' ' A' ' 13' ' ' ALA . 72.5 mt -117.2 124.73 49.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.254 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -110.72 142.71 42.27 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.52 1.137 . . . . 0.0 110.247 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.75 68.56 7.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.352 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -169.53 -54.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.611 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -53.46 176.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.477 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.5 OUTLIER -94.66 172.14 8.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 45.0 m-85 -147.78 174.35 11.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.404 ' CE ' ' HB ' ' A' ' 97' ' ' ILE . 5.0 pttt -161.94 144.83 11.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.741 HD23 HG13 ' A' ' 55' ' ' ILE . 14.1 tp -104.17 112.81 25.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.66 ' N ' HD12 ' A' ' 49' ' ' ILE . 2.7 mp -102.29 120.7 52.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.455 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 8.9 ttm180 -125.95 111.58 14.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 4.6 t30 78.91 1.52 2.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.99 -14.47 26.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -99.79 148.19 24.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.3 t -86.71 137.67 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.741 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -111.89 -41.9 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.921 ' CG ' HD13 ' A' ' 83' ' ' LEU . 38.1 t90 -131.66 138.45 48.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 107.957 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.27 137.55 39.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 142.86 -162.64 27.43 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.488 1.118 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.0 m -98.65 156.25 16.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.768 . . . . 0.0 110.044 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.2 mt -82.04 160.27 23.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.9 p -95.32 -17.14 21.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.388 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.9 m -161.03 167.39 26.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.009 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.3 tp -169.92 106.57 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -120.48 169.29 10.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.518 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 1.4 t60 -109.23 64.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.558 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 78.55 -61.11 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.572 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -153.72 61.0 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -171.24 125.7 0.64 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.75 82.86 3.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.609 HG21 HD11 ' A' ' 73' ' ' ILE . 7.1 tt -95.98 169.68 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.6 t -117.28 -37.21 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.982 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.1 t -120.91 137.21 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.609 HD11 HG21 ' A' ' 70' ' ' ILE . 9.9 mm -116.07 128.01 73.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -85.36 177.13 7.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.1 m -75.71 140.93 42.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.375 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.415 ' HA2' ' NE ' ' A' ' 34' ' ' ARG . . . 84.63 -4.2 85.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.2 mmm -93.79 130.94 39.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 111.029 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.419 ' O ' ' ND1' ' A' ' 65' ' ' HIS . 3.1 m-20 -83.38 144.49 29.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 10.1 p -157.62 154.35 28.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 108.291 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -118.48 144.59 18.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.555 1.16 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.1 pp -139.38 164.25 30.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 43.8 p -149.75 146.51 27.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.011 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.921 HD13 ' CG ' ' A' ' 56' ' ' TRP . 3.5 mt -99.13 138.66 35.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -47.35 -29.65 2.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -85.26 134.93 34.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.345 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.88 -22.81 17.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.332 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -57.7 -45.09 86.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.639 ' CG1' HD12 ' A' ' 83' ' ' LEU . 8.9 p -68.55 126.32 28.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.36 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.421 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 19.7 tt0 -121.47 132.7 54.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.74 ' CD2' ' HB2' ' A' ' 31' ' ' ALA . 1.5 m-85 -82.95 -179.57 7.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.682 ' CA ' HG21 ' A' ' 18' ' ' THR . 16.3 mtmt -166.48 157.16 11.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 54.61 3.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.513 1.797 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.74 33.34 0.08 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 0.4 OUTLIER -116.3 -168.0 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -145.85 145.78 30.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.274 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 18.2 t -129.42 98.28 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.421 HD12 ' HG2' ' A' ' 12' ' ' GLU . 21.9 mm -88.75 126.59 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 8.4 t -108.66 100.34 9.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 108.329 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.985 ' HA ' HD12 ' A' ' 10' ' ' ILE . 41.8 p90 -118.65 176.72 5.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.437 ' CG ' HD11 ' A' ' 10' ' ' ILE . 10.0 pt-20 -126.91 125.05 40.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.331 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.4 124.38 28.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.471 ' HB3' HG13 ' A' ' 104' ' ' VAL . 1.2 t-20 -175.34 158.45 2.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -93.08 66.29 4.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.471 HG13 ' HB3' ' A' ' 102' ' ' ASN . 34.9 m -76.75 155.0 83.37 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 109.37 2.92 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.549 1.815 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.2 p -47.64 110.17 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.388 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -124.9 128.54 48.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 58.4 p -140.17 154.27 46.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.428 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.2 t -177.21 124.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.034 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -167.88 123.8 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 107.991 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -115.74 104.35 52.91 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 175.59 11.04 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.802 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -168.51 147.26 11.17 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -142.95 155.69 44.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 0.783 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.66 135.52 13.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 150.7 113.09 0.59 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 177.86 8.0 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.511 1.795 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 10.3 p -115.34 170.39 8.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.133 . . . . 0.0 110.003 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 64.9 139.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.048 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.494 1.122 . . . . 0.0 110.981 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.99 -58.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 0.754 . . . . 0.0 110.051 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 t -161.43 127.22 3.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.04 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.75 145.33 17.18 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.546 1.154 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.91 107.26 6.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 0.0 109.978 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -115.26 92.25 3.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.0 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.42 -178.98 39.47 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.467 1.104 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -109.28 156.86 38.64 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 110.958 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 124.6 8.76 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.53 1.805 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.0 mt -73.9 -45.91 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -168.97 152.37 19.95 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.411 ' CG ' HD12 ' A' ' 97' ' ' ILE . 1.4 mp0 -112.75 126.75 55.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 0.734 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.43 164.9 12.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.19 130.25 40.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.964 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.801 HD13 ' HB3' ' A' ' 90' ' ' PHE . 30.0 mt -73.98 115.47 15.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.622 HD11 ' HB2' ' A' ' 34' ' ' ARG . 23.6 mt -89.9 -35.92 15.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -148.45 158.33 44.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.527 HG21 ' CA ' ' A' ' 91' ' ' LYS . 25.9 p -140.45 141.22 35.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -160.91 177.04 10.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.495 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.7 m -115.04 163.37 15.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.384 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.598 HG22 ' O ' ' A' ' 28' ' ' ILE . 6.0 m -134.02 158.96 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.8 m -116.84 135.88 53.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.453 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.497 ' HG3' HD13 ' A' ' 28' ' ' ILE . 2.2 mm-40 -138.71 99.31 3.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.9 -49.17 4.03 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -173.14 -44.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.77 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 170.74 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.96 103.31 6.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.598 ' O ' HG22 ' A' ' 21' ' ' VAL . 3.3 mp -90.3 129.31 45.96 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.495 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.3 Cg_endo -75.0 140.57 25.61 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.527 HG23 HG22 ' A' ' 21' ' ' VAL . 42.2 t -129.26 147.82 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.863 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -133.23 114.07 13.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.76 117.47 23.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.8 p -129.65 151.6 50.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 108.328 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.622 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -114.59 124.05 50.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.047 HG22 HD13 ' A' ' 40' ' ' LEU . 79.4 t -63.33 104.11 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -80.12 -41.21 25.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -137.4 146.84 44.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.581 1.175 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.25 -128.56 11.72 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.533 1.146 . . . . 0.0 111.032 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.742 ' HA ' HG11 ' A' ' 35' ' ' VAL . 6.3 pt20 -161.1 164.68 30.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 0.727 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.047 HD13 HG22 ' A' ' 35' ' ' VAL . 4.8 mp -114.1 123.97 50.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.865 ' O ' HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -96.21 -179.99 4.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.13 -35.75 6.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.275 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -90.06 -43.85 10.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.578 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -41.02 157.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -84.56 166.72 16.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.56 ' CD1' ' HG ' ' A' ' 60' ' ' LEU . 91.0 m-85 -151.6 178.27 9.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.485 ' HE2' ' CE1' ' A' ' 99' ' ' TYR . 3.0 pttt -163.64 148.29 10.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.576 ' C ' HD12 ' A' ' 49' ' ' ILE . 35.7 tp -103.78 119.61 39.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.719 ' N ' HD12 ' A' ' 49' ' ' ILE . 2.0 mp -104.98 123.93 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 16.6 ttm180 -131.81 111.86 11.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 1.4 t-20 81.98 -1.22 1.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.63 -10.79 28.01 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.494 1.121 . . . . 0.0 110.934 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -104.14 147.87 26.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 0.79 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 t -83.31 140.81 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.504 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -114.32 -41.5 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.826 ' CG ' HD13 ' A' ' 83' ' ' LEU . 63.9 t90 -126.43 138.17 53.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.014 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.427 ' CD ' ' N ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -138.04 133.42 33.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 149.83 -140.89 8.37 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 p -124.22 149.22 46.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.762 . . . . 0.0 110.015 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.723 ' CD2' HD13 ' A' ' 81' ' ' LEU . 25.8 mt -69.17 154.8 41.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 82.7 p -91.86 -19.0 22.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.39 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.9 m -167.21 158.05 11.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.865 HD22 ' O ' ' A' ' 41' ' ' GLU . 15.4 tp -156.64 102.87 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -114.48 142.1 46.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -90.08 -70.47 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.565 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 67' ' ' LYS . 22.8 t-160 -173.58 118.55 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.642 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' HIS . 0.0 OUTLIER 39.85 42.36 1.02 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.44 111.34 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -70.85 80.6 0.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.137 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.431 ' CG2' HD11 ' A' ' 73' ' ' ILE . 17.1 tt -88.32 163.15 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.4 t -114.93 -33.81 5.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.945 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.0 t -111.3 145.11 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.431 HD11 ' CG2' ' A' ' 70' ' ' ILE . 6.7 mm -129.22 113.51 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -70.2 173.75 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.8 m -72.1 131.41 42.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.7 2.12 63.3 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.9 mmm -101.55 134.56 44.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 0.782 . . . . 0.0 111.015 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -86.79 149.59 24.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 12.2 p -163.23 154.08 16.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 108.328 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -118.26 133.87 10.63 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.723 HD13 ' CD2' ' A' ' 60' ' ' LEU . 4.6 pp -125.58 160.68 28.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.6 m -145.3 134.55 22.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.826 HD13 ' CG ' ' A' ' 56' ' ' TRP . 6.0 mt -87.23 144.02 27.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -57.16 -20.56 27.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -95.24 131.72 40.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -90.01 -26.83 20.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.278 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.4 mtmm -53.91 -45.8 71.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.637 ' CG1' HD12 ' A' ' 83' ' ' LEU . 9.3 p -66.96 135.25 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -128.88 138.28 51.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.863 ' CD2' ' HB2' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -91.0 -176.02 4.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.977 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.527 ' CA ' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -174.07 158.37 2.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 18.2 Cg_endo -75.02 55.47 3.97 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.532 1.806 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.47 34.23 0.09 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -124.2 -178.95 4.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -130.94 151.47 51.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.4 t -127.97 99.31 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.411 HD12 ' CG ' ' A' ' 12' ' ' GLU . 20.5 mm -88.83 116.52 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.544 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 10.5 t -97.64 98.72 10.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 108.342 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.485 ' CE1' ' HE2' ' A' ' 47' ' ' LYS . 18.9 p90 -121.07 160.08 24.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.932 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -122.75 128.9 51.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.75 98.66 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -175.43 139.85 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -84.94 140.19 31.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.647 HG23 ' HD2' ' A' ' 105' ' ' PRO . 3.0 p -169.47 142.33 2.11 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.647 ' HD2' HG23 ' A' ' 104' ' ' VAL . 18.3 Cg_endo -74.98 169.74 21.96 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 110.953 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 32.2 p -72.67 131.66 42.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.422 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.03 149.88 25.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 68.8 m -128.49 145.95 50.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.431 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.38 -57.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER 61.87 98.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 107.964 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -166.38 140.86 3.56 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -42.12 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.471 1.774 . . . . 0.0 111.024 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 147.91 108.64 0.52 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 52.52 94.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.13 159.13 16.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -146.3 97.21 0.18 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 79.33 2.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.798 . . . . 0.0 110.939 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 9.6 t -53.01 138.69 29.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.1 m -106.79 154.62 20.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.99 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.464 ' HB3' ' CG2' ' A' ' 97' ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 110.97 -0.434 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.3 mt -77.89 -44.34 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -165.31 143.62 8.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.545 ' CG ' HD12 ' A' ' 97' ' ' ILE . 1.4 mp0 -103.03 134.75 45.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.29 135.95 50.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 11.6 m -106.25 145.21 31.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.469 ' CG2' HG22 ' A' ' 18' ' ' THR . 37.3 mt -88.0 117.11 31.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.748 HD11 ' HB2' ' A' ' 34' ' ' ARG . 8.0 mt -90.32 -36.65 14.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.37 159.89 42.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.523 HG21 ' CA ' ' A' ' 91' ' ' LYS . 29.8 p -140.2 134.81 31.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 110.383 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.43 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 10.8 p90 -154.07 176.92 11.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.725 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.7 m -117.42 162.88 17.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.636 HG22 HG23 ' A' ' 30' ' ' VAL . 5.7 m -134.66 159.3 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.1 m -114.8 138.9 50.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.404 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -140.32 99.33 3.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.23 -48.16 3.98 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -174.67 -46.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.53 170.31 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -127.34 99.43 5.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.486 ' O ' HG22 ' A' ' 21' ' ' VAL . 3.4 mp -90.18 126.42 56.99 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.725 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.3 Cg_endo -75.02 145.62 31.58 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.548 1.815 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.636 HG23 HG22 ' A' ' 21' ' ' VAL . 47.5 t -130.65 150.55 34.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.432 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -129.2 117.22 20.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.61 119.94 30.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 14' ' ' SER . 5.2 p -132.37 146.64 52.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 108.288 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.748 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -109.55 116.81 32.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.0 t -55.42 113.81 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -89.42 -33.23 16.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.324 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -151.71 136.08 16.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.53 -153.05 36.45 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -146.42 172.32 13.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 110.338 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 72' ' ' VAL . 71.7 mt -117.11 124.54 49.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.1 122.42 46.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.475 ' HG2' HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -70.87 77.56 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.311 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -178.51 -51.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.653 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -57.11 -172.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.554 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 2.9 mmtp -100.83 163.37 12.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.554 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 7.0 m-85 -143.38 173.65 11.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.677 ' HD2' HD11 ' A' ' 49' ' ' ILE . 17.8 pttt -163.6 149.31 11.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.711 HD23 HG13 ' A' ' 55' ' ' ILE . 28.2 tp -104.1 119.6 39.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.707 HD12 ' N ' ' A' ' 49' ' ' ILE . 2.3 mp -105.86 117.78 52.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 9.4 ttm180 -124.46 111.87 16.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.26 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.471 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 22.6 t30 80.11 -0.83 2.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.46 -14.62 22.72 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.545 1.153 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -99.02 147.55 24.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 0.742 . . . . 0.0 110.272 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 t -86.42 138.19 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.711 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -111.21 -42.2 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.849 ' CG ' HD13 ' A' ' 83' ' ' LEU . 54.5 t90 -128.26 137.71 52.11 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.71 124.94 21.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.499 ' O ' ' CH2' ' A' ' 56' ' ' TRP . . . 151.64 -164.33 30.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -95.49 146.52 24.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.816 HD22 ' HB2' ' A' ' 81' ' ' LEU . 3.8 mt -65.28 171.22 3.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.406 HG21 ' HB2' ' A' ' 84' ' ' ASP . 27.0 p -106.69 -27.73 10.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 m -161.11 151.56 17.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 109.994 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.475 HD22 ' HG2' ' A' ' 42' ' ' ARG . 12.6 tp -147.44 136.81 22.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -144.88 149.65 35.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 42.2 t60 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.615 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.624 ' CG2' HD11 ' A' ' 73' ' ' ILE . 11.0 tt -91.74 170.67 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.4 m -115.58 -43.19 3.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.996 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 4.7 t -114.77 143.49 24.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.624 HD11 ' CG2' ' A' ' 70' ' ' ILE . 31.2 mm -118.22 111.94 36.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -72.03 -176.77 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.9 m -77.13 145.13 37.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.376 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.41 8.13 87.67 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.546 1.154 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -102.31 131.77 48.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.757 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.61 132.15 37.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 21.1 p -145.32 157.66 44.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 108.281 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -123.49 125.58 5.95 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.816 ' HB2' HD22 ' A' ' 60' ' ' LEU . 4.6 pp -114.85 150.8 34.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 0.753 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.3 m -130.93 134.44 46.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.999 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.849 HD13 ' CG ' ' A' ' 56' ' ' TRP . 20.9 mt -89.47 151.19 22.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.406 ' HB2' HG21 ' A' ' 61' ' ' THR . 4.6 t70 -71.54 -30.03 65.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.95 73.31 10.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -38.83 -34.5 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -43.59 -48.54 7.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.82 HG21 ' HB2' ' A' ' 56' ' ' TRP . 87.4 t -59.59 140.89 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -127.72 147.29 50.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.453 ' HB3' HD13 ' A' ' 15' ' ' ILE . 0.9 OUTLIER -106.03 -175.42 2.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.523 ' CA ' HG21 ' A' ' 18' ' ' THR . 3.2 pttt -175.15 159.34 2.21 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 56.03 4.09 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.798 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -175.26 33.6 0.1 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.444 1.09 . . . . 0.0 111.04 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.476 ' OD1' ' CG ' ' A' ' 91' ' ' LYS . 13.0 m-20 -121.2 -171.82 2.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -143.44 148.14 35.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 17.2 t -126.09 98.35 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.545 HD12 ' CG ' ' A' ' 12' ' ' GLU . 11.7 mm -94.99 123.51 47.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.7 t -105.7 95.22 5.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 108.303 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 14.1 p90 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.844 0 N-CA-C 110.971 -0.434 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.6 mt -68.64 -44.31 82.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -170.62 149.12 12.14 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -103.41 152.88 21.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.551 ' HB2' HD21 ' A' ' 40' ' ' LEU . . . -141.06 137.68 33.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.412 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 23.0 m -107.53 147.66 30.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.021 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.634 HD13 ' HB3' ' A' ' 90' ' ' PHE . 57.8 mt -91.93 121.03 42.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.798 HD11 ' HB2' ' A' ' 34' ' ' ARG . 10.0 mt -94.44 -39.1 10.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.02 155.8 44.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.615 HG21 ' CA ' ' A' ' 91' ' ' LYS . 33.9 p -135.49 135.55 40.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.415 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.552 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 13.7 p90 -153.39 -177.39 6.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.711 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.6 m -124.26 162.94 22.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.408 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.659 HG22 HG23 ' A' ' 30' ' ' VAL . 6.0 m -133.63 159.17 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.9 m -114.52 139.41 49.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.376 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.411 ' HG3' HD13 ' A' ' 28' ' ' ILE . 3.1 mm-40 -139.94 99.35 3.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.78 -53.74 4.34 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -164.88 -46.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 0.794 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 168.74 3.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -130.0 107.27 9.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.562 HD12 ' H ' ' A' ' 28' ' ' ILE . 4.0 mp -90.94 129.34 44.5 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.711 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.3 Cg_endo -74.97 132.0 14.96 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.526 1.803 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.659 HG23 HG22 ' A' ' 21' ' ' VAL . 43.7 t -117.75 152.98 19.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.908 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -133.32 116.85 16.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.24 113.52 23.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 14' ' ' SER . 2.4 p -125.76 149.72 48.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 108.297 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.798 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -110.7 124.7 52.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.579 HG22 ' HG ' ' A' ' 40' ' ' LEU . 46.0 t -62.42 111.68 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.539 1.15 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -89.8 -32.42 16.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.8 pttt -148.22 150.19 33.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.9 -138.77 44.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.459 ' OE1' HG13 ' A' ' 72' ' ' VAL . 1.3 pt20 -148.65 173.62 13.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 0.794 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.579 ' HG ' HG22 ' A' ' 35' ' ' VAL . 71.8 mt -117.25 124.59 49.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.574 ' O ' HD22 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -88.98 178.75 6.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.12 -56.74 2.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -73.09 -36.88 66.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.643 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.516 ' CG ' ' CB ' ' A' ' 41' ' ' GLU . 38.4 mmtt -42.09 162.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.568 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -93.36 158.72 15.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.568 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 25.0 m-85 -148.17 177.71 9.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.489 ' HG3' HD11 ' A' ' 49' ' ' ILE . 21.5 pttt -162.46 154.24 18.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.643 HD23 HG13 ' A' ' 55' ' ' ILE . 18.1 tp -104.48 119.17 38.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.751 HD12 ' N ' ' A' ' 49' ' ' ILE . 2.1 mp -106.96 117.13 52.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.432 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 12.0 ttp85 -124.67 113.17 17.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 0.9 OUTLIER 77.19 6.7 3.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.31 -13.45 48.0 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.42 1.075 . . . . 0.0 110.969 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -97.87 150.98 20.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 0.808 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 t -93.06 129.2 43.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.643 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -103.09 -39.96 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.821 ' CE3' HD22 ' A' ' 83' ' ' LEU . 54.2 t90 -128.78 136.61 50.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 108.003 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.91 131.53 31.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 153.29 -143.13 9.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 p -119.48 148.62 43.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 0.784 . . . . 0.0 109.997 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.808 HD22 HD13 ' A' ' 81' ' ' LEU . 12.3 mt -70.44 154.01 42.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.9 p -96.83 -26.57 15.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 110.367 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.3 m -146.16 167.67 22.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.574 HD22 ' O ' ' A' ' 41' ' ' GLU . 8.5 tp -174.75 107.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -126.86 155.1 43.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.49 ' O ' ' CG ' ' A' ' 65' ' ' HIS . 1.2 t60 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.607 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.708 HG21 HD11 ' A' ' 73' ' ' ILE . 6.5 tt -95.8 168.9 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.6 m -116.35 -36.05 4.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.974 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.459 HG13 ' OE1' ' A' ' 39' ' ' GLN . 2.9 t -119.87 135.67 59.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.708 HD11 HG21 ' A' ' 70' ' ' ILE . 14.5 mm -116.65 119.77 62.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -73.44 -177.57 2.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.7 m -78.91 145.85 33.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 75.67 3.35 72.49 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.7 mmm -96.3 130.91 43.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.68 143.56 27.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.449 ' SG ' HD12 ' A' ' 40' ' ' LEU . 23.4 p -159.19 158.24 32.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 108.352 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -123.99 130.09 7.47 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.808 HD13 HD22 ' A' ' 60' ' ' LEU . 4.6 pp -120.05 159.56 24.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.735 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 43.8 p -138.1 147.67 44.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.982 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.821 HD22 ' CE3' ' A' ' 56' ' ' TRP . 9.0 mt -99.42 148.31 24.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -59.11 -20.29 52.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -98.81 134.75 41.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.333 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -91.93 -29.92 16.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.54 -43.66 65.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.53 ' CG1' HD12 ' A' ' 83' ' ' LEU . 12.5 p -67.43 128.79 31.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -124.68 132.07 53.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.908 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 1.3 m-85 -83.03 168.35 17.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.615 ' CA ' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -153.13 157.81 32.92 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.354 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 55.17 3.85 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.77 34.07 0.08 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.442 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 0.1 OUTLIER -119.64 -168.81 1.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 109.295 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -142.72 153.76 43.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.8 t -134.76 99.95 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.62 ' N ' HD12 ' A' ' 97' ' ' ILE . 1.3 mp -87.06 120.12 35.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.439 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 12.2 t -100.55 100.16 10.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 108.306 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.4 p90 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.028 -0.412 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.729 HD12 ' HA ' ' A' ' 99' ' ' TYR . 5.6 mt -70.76 -48.55 56.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -158.83 144.25 10.12 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -108.81 141.79 40.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 110.329 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.4 144.25 51.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 1.3 m -114.75 139.62 49.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.027 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.588 HD13 ' HB3' ' A' ' 90' ' ' PHE . 51.9 mt -86.05 120.48 36.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.592 HD11 ' HB2' ' A' ' 34' ' ' ARG . 13.2 mt -95.68 -35.32 11.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -145.09 160.38 41.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.451 HG22 ' CG2' ' A' ' 15' ' ' ILE . 29.9 p -145.69 136.75 24.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.374 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.505 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 9.1 p90 -153.96 -178.94 7.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.2 m -118.55 163.65 16.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.44 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.663 HG22 ' O ' ' A' ' 28' ' ' ILE . 7.5 m -135.36 158.67 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 2.4 m -122.6 125.47 45.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.345 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.536 ' HG2' HD13 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -151.67 98.97 2.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.89 54.73 3.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? 51.64 26.89 3.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 109.257 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 22' ' ' THR . 15.1 mtpt -114.76 163.25 15.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.47 92.31 3.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.663 ' O ' HG22 ' A' ' 21' ' ' VAL . 3.6 mp -95.69 118.98 65.77 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 117.74 5.03 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 111.005 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.526 HG23 HG22 ' A' ' 21' ' ' VAL . 78.1 t -100.6 157.41 4.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.632 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -138.66 118.33 13.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.07 122.76 35.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 14' ' ' SER . 5.5 p -133.4 156.9 46.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 108.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.592 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -115.21 121.15 42.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.596 HG21 HG22 ' A' ' 73' ' ' ILE . 23.8 t -54.21 117.75 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -95.36 -30.27 14.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt -155.22 143.07 19.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.66 -149.05 51.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.475 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 8.1 pt20 -143.29 175.82 9.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 67.7 mt -117.46 124.4 48.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' HIS . 33.4 mt-10 -107.57 118.1 35.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.448 ' CG ' ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -64.63 75.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.338 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' GLU . 2.0 t60 179.03 -47.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.575 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -53.59 -179.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 46' ' ' PHE . 2.7 tttt -98.35 140.34 32.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.438 ' CD2' HD11 ' A' ' 60' ' ' LEU . 12.0 m-85 -124.41 169.88 11.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -163.61 150.13 11.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.749 HD23 HG13 ' A' ' 55' ' ' ILE . 27.2 tp -104.12 120.34 40.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.744 HD12 ' N ' ' A' ' 49' ' ' ILE . 2.0 mp -107.19 115.79 49.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.472 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 7.7 ttm180 -124.0 112.86 17.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 9.8 t-20 79.88 -0.06 2.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.4 -14.79 25.22 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.544 1.152 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -98.59 148.06 24.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 0.765 . . . . 0.0 110.313 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.522 HG22 HG13 ' A' ' 49' ' ' ILE . 24.3 t -88.96 131.45 36.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.749 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -103.96 -39.71 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.905 ' CG ' HD13 ' A' ' 83' ' ' LEU . 63.8 t90 -131.03 135.03 47.22 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.84 115.0 10.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.456 ' O ' ' CH2' ' A' ' 56' ' ' TRP . . . 165.73 -164.55 37.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.0 m -95.84 152.72 18.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 110.015 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.664 ' CD2' HD13 ' A' ' 81' ' ' LEU . 11.3 mt -75.03 158.25 33.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.357 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 58.0 p -97.53 -25.57 15.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.402 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.77 154.87 26.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.975 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.448 ' HB3' ' CG ' ' A' ' 42' ' ' ARG . 9.9 tp -154.78 126.91 7.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -139.7 152.28 46.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.585 ' CD2' ' O ' ' A' ' 78' ' ' ASP . 43.7 t-80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.593 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.656 HG21 HD11 ' A' ' 73' ' ' ILE . 10.8 tt -94.36 171.15 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.9 t -118.24 -41.47 2.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.6 t -111.55 145.13 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.656 HD11 HG21 ' A' ' 70' ' ' ILE . 15.4 mm -127.56 119.72 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -82.56 179.94 7.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 33.3 m -74.87 147.14 41.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.98 -2.11 76.52 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.115 . . . . 0.0 110.967 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 84.6 mtp -100.22 127.93 46.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.585 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 5.6 m-20 -84.79 146.1 27.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.411 ' SG ' HG21 ' A' ' 73' ' ' ILE . 10.1 p -155.24 154.79 32.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 108.291 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -121.68 133.78 9.63 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.531 1.145 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.664 HD13 ' CD2' ' A' ' 60' ' ' LEU . 4.2 pp -126.0 148.24 49.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.776 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.436 ' OG ' HG22 ' A' ' 30' ' ' VAL . 3.7 m -129.02 135.34 48.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.905 HD13 ' CG ' ' A' ' 56' ' ' TRP . 24.6 mt -87.37 153.25 21.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.07 -28.2 64.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.44 85.09 5.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -49.0 -24.67 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.01 -45.58 64.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.716 HG11 ' HB2' ' A' ' 56' ' ' TRP . 61.9 t -67.43 126.83 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -118.12 130.58 56.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.27 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.632 ' CD2' ' HB2' ' A' ' 31' ' ' ALA . 2.4 m-85 -79.56 -164.5 0.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.44 ' N ' HG21 ' A' ' 18' ' ' THR . 0.8 OUTLIER 178.24 154.19 0.5 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 54.88 3.79 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.36 33.86 0.09 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -120.68 -170.81 2.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 0.77 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -142.74 150.31 39.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.4 t -130.35 98.3 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.562 ' N ' HD12 ' A' ' 97' ' ' ILE . 1.5 mp -88.84 117.75 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 8.5 t -97.81 101.94 13.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.251 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.729 ' HA ' HD12 ' A' ' 10' ' ' ILE . 3.0 p90 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.912 0 N-CA-C 110.956 -0.44 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 99' ' ' TYR . 5.9 mt -72.3 -45.31 61.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -168.46 140.53 6.24 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.493 1.121 . . . . 0.0 111.056 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -100.66 147.52 25.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 110.255 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -133.07 144.84 50.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -115.57 134.93 54.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.955 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.529 HD13 ' HB3' ' A' ' 90' ' ' PHE . 54.7 mt -82.64 125.12 39.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.5 mt -102.02 -36.67 8.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.78 148.76 41.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.748 HG21 ' CA ' ' A' ' 91' ' ' LYS . 69.4 p -133.85 134.55 42.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.396 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.456 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 10.3 p90 -155.08 177.55 11.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.958 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.583 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.7 m -119.03 162.88 17.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.597 HG22 HG23 ' A' ' 30' ' ' VAL . 6.9 m -134.91 157.91 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 55.8 m -114.74 141.52 47.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -143.91 99.34 3.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 110.318 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.37 -49.13 4.09 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -170.23 -54.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.76 170.47 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -128.78 108.44 10.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.568 ' O ' HG22 ' A' ' 21' ' ' VAL . 4.2 mp -89.62 126.35 58.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.583 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.2 Cg_endo -75.03 128.75 11.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.597 HG23 HG22 ' A' ' 21' ' ' VAL . 50.6 t -116.52 150.51 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.808 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -132.69 126.11 31.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.89 121.22 41.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 14' ' ' SER . 12.5 p -135.63 152.6 51.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 108.283 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -108.9 118.66 37.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.449 HG21 HG22 ' A' ' 73' ' ' ILE . 77.2 t -53.06 110.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.37 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -83.19 -39.79 20.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.7 pttp -147.2 142.24 27.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.98 -151.18 42.09 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.633 ' OE1' HG13 ' A' ' 72' ' ' VAL . 2.0 pt20 -140.96 175.97 9.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 0.0 110.299 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 63.8 mt -117.31 125.04 50.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -110.5 127.71 55.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.304 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.98 67.88 1.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -178.68 -49.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.544 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -49.23 176.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.509 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 1.3 mttt -93.7 150.58 20.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 98' ' ' CYS . 11.1 m-85 -142.26 170.83 14.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.555 ' HE3' ' CE1' ' A' ' 99' ' ' TYR . 4.8 ptpt -161.75 152.93 18.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.619 ' C ' HD12 ' A' ' 49' ' ' ILE . 32.1 tp -104.27 120.67 41.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.764 HD12 ' N ' ' A' ' 49' ' ' ILE . 2.1 mp -108.61 114.88 47.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.57 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 8.8 ttm180 -123.69 111.13 15.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.57 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 13.0 t-20 88.47 -24.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 136.42 -13.62 4.0 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -101.65 149.24 24.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 0.742 . . . . 0.0 110.309 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.467 HG21 ' HD3' ' A' ' 47' ' ' LYS . 5.8 t -87.33 133.32 30.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.43 ' N ' HD13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -108.33 -42.01 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.929 ' CE3' HD22 ' A' ' 83' ' ' LEU . 82.0 t90 -124.59 135.8 53.43 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.06 118.83 14.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 159.16 -167.95 35.05 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 m -91.79 152.41 20.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 0.798 . . . . 0.0 109.991 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.583 HD22 ' HB2' ' A' ' 81' ' ' LEU . 4.8 mt -73.16 164.85 26.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.469 HG22 ' OD1' ' A' ' 84' ' ' ASP . 3.1 p -103.35 -29.11 11.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 110.389 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 m -154.85 157.72 38.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.1 tp -160.35 115.23 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -124.99 164.89 19.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.431 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 6.4 t60 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.612 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.62 HG21 HD11 ' A' ' 73' ' ' ILE . 6.7 tt -95.28 170.98 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.8 m -115.23 -40.83 3.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.633 HG13 ' OE1' ' A' ' 39' ' ' GLN . 20.9 t -110.66 147.57 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.62 HD11 HG21 ' A' ' 70' ' ' ILE . 17.0 mm -131.93 110.52 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -63.28 -172.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.2 m -81.15 160.82 24.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.414 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 56.37 19.47 25.76 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.0 mmm -103.66 138.15 40.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 0.774 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.88 132.48 39.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.419 ' SG ' HG21 ' A' ' 73' ' ' ILE . 22.0 p -153.05 160.75 42.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 108.345 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -117.16 136.23 12.49 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.583 ' HB2' HD22 ' A' ' 60' ' ' LEU . 4.1 pp -131.49 161.79 31.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 40.9 t -143.56 153.17 42.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.929 HD22 ' CE3' ' A' ' 56' ' ' TRP . 9.6 mt -102.77 143.66 32.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.469 ' OD1' HG22 ' A' ' 61' ' ' THR . 6.4 m-20 -49.27 -29.38 5.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -90.19 134.2 34.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.413 ' OE1' ' N ' ' A' ' 86' ' ' GLU . 6.8 pm0 -91.07 -31.35 16.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -45.39 62.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.428 HG21 ' HB2' ' A' ' 56' ' ' TRP . 8.0 p -64.36 125.54 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -121.4 130.11 53.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.808 ' CD2' ' HB2' ' A' ' 31' ' ' ALA . 2.2 m-85 -79.78 -172.61 3.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.998 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.748 ' CA ' HG21 ' A' ' 18' ' ' THR . 2.0 pttt -174.73 158.09 2.32 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 57.18 4.51 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.526 1.803 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.75 34.14 0.08 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.503 ' OD1' ' CG ' ' A' ' 91' ' ' LYS . 12.4 m-20 -125.15 -173.59 2.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -140.83 152.49 45.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.344 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.9 t -131.58 98.35 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.562 ' N ' HD12 ' A' ' 97' ' ' ILE . 1.5 mp -88.19 117.9 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.571 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 13.9 t -97.27 97.9 9.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 108.289 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.555 ' CE1' ' HE3' ' A' ' 47' ' ' LYS . 3.5 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.934 0 N-CA-C 110.973 -0.434 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.67 HG21 ' OE2' ' A' ' 41' ' ' GLU . 7.1 mt -73.1 -41.54 59.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 179.56 139.89 3.88 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.441 ' HG3' HD13 ' A' ' 97' ' ' ILE . 1.6 tt0 -100.65 129.27 46.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.76 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.58 147.36 36.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.64 135.42 54.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.065 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.492 HD13 ' HB3' ' A' ' 90' ' ' PHE . 44.9 mt -80.05 120.0 30.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.519 HD11 ' HB2' ' A' ' 34' ' ' ARG . 31.0 mt -93.2 -38.98 11.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.01 155.24 43.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.477 HG22 HG21 ' A' ' 15' ' ' ILE . 30.9 p -135.84 135.59 39.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.364 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.572 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 12.0 p90 -154.84 -177.15 6.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.704 HG23 ' HA ' ' A' ' 29' ' ' PRO . 3.2 m -123.92 162.5 23.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.362 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' ' 28' ' ' ILE . 6.6 m -131.99 156.21 42.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.1 m -111.05 131.85 54.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.418 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 28' ' ' ILE . 6.5 mm-40 -143.26 98.3 3.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.321 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.455 ' O ' ' HB2' ' A' ' 25' ' ' LYS . . . 64.49 61.71 5.72 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 24' ' ' GLY . 7.0 mttm 75.51 -55.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 0.794 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.56 160.83 1.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 pttt -132.62 107.28 8.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.612 ' O ' HG22 ' A' ' 21' ' ' VAL . 4.2 mp -95.11 131.11 30.76 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.704 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.4 Cg_endo -75.0 146.41 32.6 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.525 1.802 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.572 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 24.1 t -131.11 153.46 39.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.57 115.31 13.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.11 112.42 21.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.6 p -123.79 148.38 46.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 108.297 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.519 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -112.34 122.29 47.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.496 HG22 ' HG ' ' A' ' 40' ' ' LEU . 73.8 t -60.23 113.74 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -89.51 -43.55 10.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.62 135.59 38.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.83 -142.76 30.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.462 ' OE1' HG13 ' A' ' 72' ' ' VAL . 3.1 pt20 -150.13 176.84 10.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.496 ' HG ' HG22 ' A' ' 35' ' ' VAL . 72.3 mt -117.28 124.81 49.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.67 ' OE2' HG21 ' A' ' 10' ' ' ILE . 30.1 mt-10 -115.8 121.51 42.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.439 ' CD ' ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -56.43 160.99 2.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.277 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.436 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 0.8 OUTLIER 83.7 -51.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.603 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -43.57 165.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.447 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -88.94 142.03 27.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 98' ' ' CYS . 7.8 m-85 -137.25 172.77 12.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.938 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.71 ' HD2' HD11 ' A' ' 49' ' ' ILE . 0.6 OUTLIER -160.52 152.08 19.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.684 HD23 HG13 ' A' ' 55' ' ' ILE . 26.8 tp -104.4 116.69 32.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.71 HD11 ' HD2' ' A' ' 47' ' ' LYS . 2.4 mp -105.55 115.28 47.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.492 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 10.4 ttm180 -124.28 112.83 17.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 7.8 t-20 81.56 -0.49 1.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.85 -13.71 29.38 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.455 1.097 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -99.0 147.98 24.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.784 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 t -87.16 138.48 18.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.684 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -113.47 -41.94 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.355 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.957 ' CG ' HD13 ' A' ' 83' ' ' LEU . 57.8 t90 -129.63 136.03 49.26 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.17 118.5 14.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.512 ' O ' ' CH2' ' A' ' 56' ' ' TRP . . . 160.98 -166.89 35.79 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 p -94.0 152.49 18.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 110.023 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.629 HD22 HD13 ' A' ' 81' ' ' LEU . 6.5 mt -78.23 147.24 34.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.425 ' C ' ' HG ' ' A' ' 62' ' ' SER . 10.8 p -82.12 -23.09 35.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.438 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.425 ' HG ' ' C ' ' A' ' 61' ' ' THR . 2.2 m -165.03 154.83 13.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.439 ' HB3' ' CD ' ' A' ' 42' ' ' ARG . 2.3 tp -158.76 120.99 3.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -123.81 165.91 16.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.436 ' ND1' ' C ' ' A' ' 65' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.599 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.8 tt -96.18 139.04 19.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.697 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.8 OUTLIER -103.14 27.94 6.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 71' ' ' SER . 12.6 t -159.81 143.87 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.432 HG21 ' SG ' ' A' ' 79' ' ' CYS . 20.8 mm -141.28 103.1 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.2 mttt -65.51 179.85 0.74 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 73.7 m -74.96 139.28 42.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.467 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.41 ' HA2' ' NE ' ' A' ' 34' ' ' ARG . . . 87.85 -10.23 71.09 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.9 mmm -86.54 126.66 34.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 0.771 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -83.95 143.11 30.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.432 ' SG ' HG21 ' A' ' 73' ' ' ILE . 25.5 p -156.27 159.39 38.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 108.324 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -126.77 145.14 15.56 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.629 HD13 HD22 ' A' ' 60' ' ' LEU . 4.4 pp -134.45 158.0 45.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.3 p -141.25 139.55 33.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.012 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.957 HD13 ' CG ' ' A' ' 56' ' ' TRP . 6.2 mt -96.67 155.98 16.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -70.66 -25.59 63.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -92.48 81.0 4.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.9 pm0 -48.78 -23.45 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.95 -46.32 68.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.791 HG21 ' HB2' ' A' ' 56' ' ' TRP . 89.5 t -62.35 128.7 24.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -114.77 149.15 37.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.275 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.492 ' HB3' HD13 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -109.72 168.01 9.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.423 ' CA ' HG21 ' A' ' 18' ' ' THR . 0.1 OUTLIER -153.03 157.89 32.95 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 54.86 3.76 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.783 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.91 33.9 0.08 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -116.6 -172.4 2.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 0.784 . . . . 0.0 109.267 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' ILE . 15.7 mt-30 -138.6 146.76 42.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.7 t -127.17 98.26 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.441 HD13 ' HG3' ' A' ' 12' ' ' GLU . 4.7 mm -87.2 132.07 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.571 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 14.4 t -119.15 104.41 10.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 108.32 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 9.9 p90 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 111.021 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.861 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.802 HD12 ' HA ' ' A' ' 99' ' ' TYR . 1.6 mp -69.06 -35.54 69.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -176.88 150.95 10.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.538 1.149 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -118.94 150.13 40.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -140.05 130.55 25.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.7 m -98.63 146.95 25.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.553 HD13 ' HB3' ' A' ' 90' ' ' PHE . 58.4 mt -90.46 122.6 42.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.702 HD11 ' HB2' ' A' ' 34' ' ' ARG . 9.2 mt -97.32 -39.2 9.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.2 153.33 45.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.657 HG21 ' CA ' ' A' ' 91' ' ' LYS . 51.6 p -136.21 135.75 39.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.452 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.554 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 12.4 p90 -156.39 -177.59 6.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.78 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.7 m -124.2 162.81 22.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.651 HG22 HG23 ' A' ' 30' ' ' VAL . 6.0 m -132.88 159.1 43.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.2 m -111.37 133.99 53.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 110.378 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.418 ' HB2' HD13 ' A' ' 28' ' ' ILE . 2.8 mt-10 -144.3 99.12 3.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.469 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . 63.17 48.58 78.53 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.433 1.083 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER 85.69 -50.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 0.761 . . . . 0.0 109.244 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 163.09 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.8 mtmm -132.11 102.79 5.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.784 HD12 ' N ' ' A' ' 28' ' ' ILE . 2.6 mp -94.94 123.17 58.4 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.78 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.4 Cg_endo -74.95 130.17 13.08 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.651 HG23 HG22 ' A' ' 21' ' ' VAL . 52.9 t -113.66 157.64 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.781 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -137.68 115.7 11.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.9 115.5 23.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.2 p -128.1 144.74 51.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 108.295 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.702 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -107.18 119.74 40.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.536 HG21 HG22 ' A' ' 73' ' ' ILE . 96.2 t -56.87 123.86 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -103.84 -35.14 8.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.09 145.39 30.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.94 -145.81 45.51 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -147.38 175.97 10.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 0.764 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.2 mt -117.53 124.87 49.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -112.66 137.8 50.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.42 70.44 8.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.268 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.5 t-160 -179.55 -49.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.616 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.408 ' HD2' HD13 ' A' ' 10' ' ' ILE . 20.9 mmtm -50.18 178.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.583 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -96.57 158.79 15.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.244 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.583 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 21.2 m-85 -148.28 169.72 19.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 111.048 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.476 ' HD2' HD11 ' A' ' 49' ' ' ILE . 12.1 pttt -162.62 150.18 13.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.723 HD23 HG13 ' A' ' 55' ' ' ILE . 28.4 tp -104.33 119.43 38.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.761 HD12 ' N ' ' A' ' 49' ' ' ILE . 1.8 mp -107.37 113.64 44.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.452 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 3.7 ttm180 -121.28 114.07 20.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 29.1 t30 77.99 1.14 2.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.07 -14.9 28.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.13 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -96.75 149.26 22.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.784 . . . . 0.0 110.321 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 t -91.01 131.32 38.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.723 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -105.6 -41.74 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 109.263 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.775 ' CG ' HD13 ' A' ' 83' ' ' LEU . 71.4 t90 -130.01 135.23 48.05 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -137.75 115.13 11.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.3 -163.09 36.32 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 m -95.92 147.49 23.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 0.793 . . . . 0.0 110.005 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.61 HD22 HD13 ' A' ' 81' ' ' LEU . 22.2 mt -69.15 114.44 7.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.56 -13.72 23.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.412 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 m -167.14 153.65 8.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.024 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.1 tp -155.65 126.64 7.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -138.57 147.81 43.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' A' ' 78' ' ' ASP . 64.0 t60 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.579 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.808 HG21 HD11 ' A' ' 73' ' ' ILE . 7.5 tt -90.36 170.52 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 60.2 p -115.76 -35.58 4.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.7 t -132.12 140.21 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.346 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.808 HD11 HG21 ' A' ' 70' ' ' ILE . 20.3 mm -116.91 127.5 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -85.08 179.41 7.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 59.2 m -76.7 152.53 35.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.396 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 73.59 8.65 76.96 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.471 1.107 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.3 mmm -105.18 133.19 50.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.453 ' O ' ' ND1' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -92.95 124.44 36.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 26.3 p -137.1 160.34 39.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 108.319 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -121.15 126.18 6.47 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.61 HD13 HD22 ' A' ' 60' ' ' LEU . 4.4 pp -118.18 135.86 53.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 0.791 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.0 p -116.4 140.19 49.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.775 HD13 ' CG ' ' A' ' 56' ' ' TRP . 33.2 mt -93.04 147.65 22.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -64.35 -26.77 68.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 87' ' ' LYS . 0.5 OUTLIER -95.54 76.11 3.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -41.23 -28.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 85' ' ' GLU . 20.1 mttt -47.83 -47.83 31.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.731 HG11 ' HB2' ' A' ' 56' ' ' TRP . 61.2 t -65.44 125.42 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -115.89 136.61 52.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.781 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 1.1 m-85 -87.7 -172.47 3.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.062 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.657 ' CA ' HG21 ' A' ' 18' ' ' THR . 0.2 OUTLIER -172.84 155.56 3.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 55.82 4.1 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -175.56 33.85 0.09 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -122.49 -168.69 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -144.24 155.78 44.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 28.0 t -134.47 98.5 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.587 ' N ' HD12 ' A' ' 97' ' ' ILE . 1.2 mp -87.12 115.23 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 7.4 t -96.77 101.97 13.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 108.32 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.802 ' HA ' HD12 ' A' ' 10' ' ' ILE . 2.8 p90 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 111.03 -0.412 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.3 mt -73.66 -43.58 54.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.47 142.02 5.28 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -101.77 140.51 35.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.758 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.25 133.22 43.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 33' ' ' CYS . 67.7 m -99.59 154.74 18.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.548 HD13 ' HB3' ' A' ' 90' ' ' PHE . 73.5 mt -96.66 127.4 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.646 HD11 ' HB2' ' A' ' 34' ' ' ARG . 17.6 mt -101.51 -37.4 8.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -145.5 153.69 41.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.58 HG21 ' CA ' ' A' ' 91' ' ' LYS . 30.4 p -135.14 135.56 41.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.428 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.571 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 9.8 p90 -154.16 -177.31 6.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.67 HG23 ' HA ' ' A' ' 29' ' ' PRO . 2.1 m -123.16 162.64 22.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.619 HG22 ' O ' ' A' ' 28' ' ' ILE . 6.2 m -131.53 156.83 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.3 m -108.56 132.43 53.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.358 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 28' ' ' ILE . 1.6 mt-10 -143.67 98.92 3.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . 62.57 51.37 56.57 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.2 OUTLIER 84.97 -52.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.33 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.46 161.24 0.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -131.99 99.01 4.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.619 ' O ' HG22 ' A' ' 21' ' ' VAL . 5.0 mp -89.83 128.48 50.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.67 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.3 Cg_endo -75.02 139.28 24.03 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.473 1.775 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.571 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 38.8 t -125.14 145.33 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.653 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -122.76 120.38 33.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -90.55 114.94 27.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 14' ' ' SER . 1.9 p -127.2 146.97 50.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 108.305 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.646 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -108.23 120.94 43.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.449 HG21 HG22 ' A' ' 73' ' ' ILE . 25.0 t -58.54 131.29 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -113.96 -37.55 4.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -145.57 130.82 18.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.29 -145.01 19.49 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -150.19 166.85 28.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 110.301 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.68 HD22 ' SG ' ' A' ' 98' ' ' CYS . 53.1 mt -117.23 124.66 49.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.473 ' HB2' ' CG ' ' A' ' 44' ' ' LYS . 6.3 mt-10 -108.93 179.01 4.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.69 -31.92 9.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.04 47.65 1.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.56 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.473 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 21.1 mmtm -136.93 168.19 20.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.55 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 11.0 mptt -95.3 153.83 17.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.557 ' CD2' ' SG ' ' A' ' 98' ' ' CYS . 19.8 m-85 -146.28 173.99 11.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.66 153.38 17.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.664 ' C ' HD12 ' A' ' 49' ' ' ILE . 40.8 tp -104.35 120.93 42.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.748 HD12 ' N ' ' A' ' 49' ' ' ILE . 2.1 mp -111.07 116.53 52.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.506 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 30.6 ttm180 -122.78 110.97 16.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 8.6 t-20 82.36 -6.69 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.358 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.43 -15.12 10.76 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -96.42 148.14 23.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 110.335 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.446 HG22 HG13 ' A' ' 49' ' ' ILE . 8.4 t -89.55 136.15 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.583 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -110.47 -43.48 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.846 ' CG ' HD13 ' A' ' 83' ' ' LEU . 46.6 t90 -127.13 135.66 51.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 108.05 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.94 113.74 9.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 176.39 -142.98 6.21 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.102 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 p -120.58 155.06 34.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.74 . . . . 0.0 109.967 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.451 HD13 ' HB2' ' A' ' 81' ' ' LEU . 27.7 mt -77.88 136.21 38.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 13.4 p -77.47 -16.65 58.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.408 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.5 m -168.9 153.62 5.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.989 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 tp -152.85 116.01 4.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.085 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -129.55 157.07 43.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.688 ' HB2' HD11 ' A' ' 73' ' ' ILE . 4.3 t60 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.61 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 1.038 HG21 HD11 ' A' ' 73' ' ' ILE . 0.6 OUTLIER -100.55 146.49 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 61.8 p -101.79 -26.72 13.37 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.468 1.105 . . . . 0.0 110.026 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.6 t -139.93 134.2 36.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 1.038 HD11 HG21 ' A' ' 70' ' ' ILE . 12.7 mm -114.55 128.07 71.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -83.42 175.55 9.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.359 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.9 m -73.3 142.19 47.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 110.363 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.78 -4.68 85.5 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.2 mmm -96.1 131.06 42.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -83.48 145.8 28.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.41 ' SG ' HD12 ' A' ' 40' ' ' LEU . 23.0 p -161.56 158.3 26.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 108.313 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -119.92 134.93 10.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.512 ' O ' HD12 ' A' ' 81' ' ' LEU . 4.2 pp -126.1 148.1 49.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.9 p -129.11 141.3 51.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.984 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.846 HD13 ' CG ' ' A' ' 56' ' ' TRP . 39.1 mt -87.98 167.76 13.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -92.79 25.95 2.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -150.6 91.55 1.75 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.266 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -52.78 -21.53 4.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -55.23 -42.94 74.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.836 HG21 ' HB2' ' A' ' 56' ' ' TRP . 48.9 t -72.08 133.22 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -121.94 135.78 54.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.653 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 1.5 m-85 -90.92 -174.8 4.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.58 ' CA ' HG21 ' A' ' 18' ' ' THR . 0.3 OUTLIER -172.12 158.74 4.27 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 95.27 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.504 1.792 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 146.67 -17.13 1.62 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -66.78 -179.27 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.751 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -132.3 158.28 42.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.406 HG12 ' SG ' ' A' ' 98' ' ' CYS . 15.4 t -134.58 99.22 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 9.8 mm -87.65 112.74 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.68 ' SG ' HD22 ' A' ' 40' ' ' LEU . 4.0 m -102.52 94.39 5.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 108.335 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.9 p90 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 110.991 -0.427 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.1 mt -78.49 -46.7 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -168.73 139.37 5.62 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.12 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -105.57 124.83 50.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.749 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.05 131.62 54.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 m -96.62 142.14 29.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.041 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.576 HD13 ' HB3' ' A' ' 90' ' ' PHE . 52.9 mt -84.16 120.15 34.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.7 HD11 ' HB2' ' A' ' 34' ' ' ARG . 9.6 mt -92.4 -41.23 10.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.12 159.55 41.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.587 HG21 ' CA ' ' A' ' 91' ' ' LYS . 17.5 p -141.12 142.68 34.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.381 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.554 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 10.0 p90 -162.28 179.77 7.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.688 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.5 m -121.13 162.1 20.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.38 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 28' ' ' ILE . 5.8 m -131.11 159.04 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.3 m -112.92 132.51 55.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 110.437 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -139.29 99.34 3.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . 58.78 47.37 90.72 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.597 1.186 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER 89.35 -43.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.278 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.88 160.06 2.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -132.36 101.22 5.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.81 HD12 ' N ' ' A' ' 28' ' ' ILE . 2.2 mp -96.54 124.66 50.04 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.688 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.2 Cg_endo -75.06 128.76 11.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.58 HG23 HG22 ' A' ' 21' ' ' VAL . 47.9 t -113.49 157.01 14.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.777 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -139.47 119.84 13.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.33 118.32 30.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 p -131.04 139.95 50.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 108.304 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.7 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -104.3 122.2 44.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.283 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.673 HG21 HG22 ' A' ' 73' ' ' ILE . 57.6 t -51.7 126.87 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -99.39 -38.23 8.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.23 148.96 33.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.76 -135.35 49.34 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.449 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 7.8 pt20 -155.81 175.59 13.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.751 . . . . 0.0 110.355 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.2 mt -117.18 124.7 49.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -104.87 118.34 36.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 110.244 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.52 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 0.8 OUTLIER -59.55 153.48 19.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.52 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 12.3 t60 88.75 -42.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.609 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -52.12 -176.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.358 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.493 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 4.5 mttt -99.5 151.03 21.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.087 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.493 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 15.0 m-85 -142.34 174.72 10.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.527 ' HD2' HD11 ' A' ' 49' ' ' ILE . 15.4 pttt -163.56 148.31 10.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.879 HD23 HG13 ' A' ' 55' ' ' ILE . 19.5 tp -104.34 119.69 39.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.733 HD12 ' N ' ' A' ' 49' ' ' ILE . 1.6 mp -108.09 118.32 55.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.431 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 19.6 ttp85 -123.36 113.18 18.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.431 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 4.1 t-20 77.39 1.35 3.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.06 -14.59 26.14 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.533 1.146 . . . . 0.0 110.97 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -96.63 150.27 20.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 0.792 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 t -91.16 132.78 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.879 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -106.5 -42.75 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.765 ' HB2' HG21 ' A' ' 88' ' ' VAL . 48.3 t90 -130.4 138.44 50.35 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.83 125.13 21.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.487 ' O ' ' CH2' ' A' ' 56' ' ' TRP . . . 154.06 -167.16 32.22 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 p -94.01 157.38 16.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.544 ' CD2' HD13 ' A' ' 81' ' ' LEU . 15.3 mt -79.72 163.09 24.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 65.5 p -101.66 -19.3 15.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.436 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.5 m -164.15 160.76 21.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.995 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.471 ' HB3' ' CG ' ' A' ' 42' ' ' ARG . 11.5 tp -158.62 124.7 4.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.354 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -133.42 133.94 42.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.612 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.527 ' CG2' HD11 ' A' ' 73' ' ' ILE . 15.5 tt -87.55 166.18 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 92.8 p -115.95 -34.77 4.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.019 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.466 ' O ' HD13 ' A' ' 73' ' ' ILE . 19.5 t -108.75 145.62 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.673 HG22 HG21 ' A' ' 35' ' ' VAL . 48.0 mm -129.3 109.89 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -69.47 -176.25 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.2 m -79.01 145.18 34.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.365 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.11 -0.13 74.57 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.7 mmm -93.75 128.75 40.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 0.762 . . . . 0.0 111.041 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -84.17 146.24 27.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 24.5 p -160.07 158.49 30.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 108.258 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -127.59 135.57 8.8 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.544 HD13 ' CD2' ' A' ' 60' ' ' LEU . 3.8 pp -126.04 162.68 24.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.785 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.481 ' OG ' HG22 ' A' ' 30' ' ' VAL . 12.6 m -143.74 138.82 29.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.741 HD13 ' CG ' ' A' ' 56' ' ' TRP . 10.0 mt -92.19 147.83 22.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -18.57 64.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 87' ' ' LYS . 3.6 tp10 -100.37 79.6 2.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -43.57 -27.52 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 85' ' ' GLU . 5.0 mttp -48.99 -47.58 44.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.765 HG21 ' HB2' ' A' ' 56' ' ' TRP . 61.1 t -67.93 124.51 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -115.87 137.42 52.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.777 ' CD2' ' HB2' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -88.72 179.63 6.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 111.017 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.587 ' CA ' HG21 ' A' ' 18' ' ' THR . 6.0 mttt -165.28 157.05 13.04 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 55.34 3.91 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -177.65 34.32 0.08 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.447 1.092 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.435 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 0.5 OUTLIER -118.95 -168.65 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 109.315 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -144.55 152.84 41.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 22.2 t -130.05 103.55 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.47 ' HB ' ' CE ' ' A' ' 47' ' ' LYS . 18.5 mm -90.75 124.71 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 17.4 t -114.76 101.18 8.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 108.301 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 24.1 p90 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 111.022 179.942 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.463 ' HB3' ' CG2' ' A' ' 97' ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.908 0 N-CA-C 111.009 -0.42 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.1 mt -83.03 -42.85 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.33 145.38 11.09 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.466 1.104 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.554 ' HG2' HD12 ' A' ' 97' ' ' ILE . 3.4 mp0 -113.27 121.83 45.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 110.309 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.96 131.01 57.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.72 140.96 34.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.004 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.62 HD13 ' HB3' ' A' ' 90' ' ' PHE . 60.6 mt -85.31 117.2 29.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.678 HD11 ' HB2' ' A' ' 34' ' ' ARG . 13.2 mt -90.51 -38.85 12.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.33 160.23 42.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.504 HG22 ' CG2' ' A' ' 15' ' ' ILE . 13.8 p -141.36 138.68 33.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 30' ' ' VAL . 8.3 p90 -153.79 -177.26 6.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.133 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.518 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.9 m -118.42 163.44 16.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.37 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.579 HG22 ' O ' ' A' ' 28' ' ' ILE . 6.7 m -135.7 158.52 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.9 m -116.03 143.14 45.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.406 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -149.81 99.45 2.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.92 -44.2 3.32 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.2 mttt 175.31 -43.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.99 175.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.12 97.72 4.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.579 ' O ' HG22 ' A' ' 21' ' ' VAL . 4.4 mp -89.74 124.02 64.96 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.518 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.5 Cg_endo -74.95 146.94 33.46 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.512 1.796 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.525 HG23 HG22 ' A' ' 21' ' ' VAL . 53.8 t -137.43 154.74 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.727 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -134.2 120.27 19.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.41 116.83 24.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 p -127.68 145.25 50.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 108.313 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.678 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -108.66 122.68 47.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.475 HG21 HG22 ' A' ' 73' ' ' ILE . 85.4 t -62.12 112.12 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -88.8 -45.17 9.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -139.47 136.39 34.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.433 ' O ' ' CG1' ' A' ' 35' ' ' VAL . . . 76.47 -164.04 53.16 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.448 1.093 . . . . 0.0 111.026 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -132.76 172.27 12.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 0.793 . . . . 0.0 110.262 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 72' ' ' VAL . 77.0 mt -117.05 124.5 49.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -105.84 122.97 47.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -71.56 83.2 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 172.18 -47.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.582 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -56.47 -173.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.581 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 2.7 mmtp -99.23 162.29 13.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.581 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 14.6 m-85 -146.8 169.02 19.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.441 ' HE2' ' CE1' ' A' ' 99' ' ' TYR . 1.4 pttt -157.04 145.73 19.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.509 HD22 ' CD2' ' A' ' 90' ' ' PHE . 41.5 tp -104.23 112.45 25.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.657 HD12 ' N ' ' A' ' 49' ' ' ILE . 2.7 mp -101.51 119.41 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 2.1 ttm180 -126.1 112.73 16.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER 80.56 -1.84 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.13 -12.9 24.08 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -100.27 148.05 25.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 0.78 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.7 t -87.04 135.05 26.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.495 ' CD1' ' O ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -110.54 -42.15 4.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.974 ' CG ' HD13 ' A' ' 83' ' ' LEU . 63.0 t90 -129.14 134.99 48.28 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.1 ttpp -137.07 117.16 13.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 163.85 -164.47 36.44 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -91.17 147.53 22.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.99 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.711 HD11 HD22 ' A' ' 81' ' ' LEU . 32.6 mt -64.68 123.14 18.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.3 m -65.13 -20.78 66.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.425 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.3 m -167.16 169.94 12.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.8 tp -163.89 125.12 2.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -140.19 141.31 35.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.499 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 10.3 t60 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.627 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.779 HG21 HD11 ' A' ' 73' ' ' ILE . 8.7 tt -90.87 170.4 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.1 m -116.07 -34.87 4.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.989 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 3.4 t -128.37 140.57 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.779 HD11 HG21 ' A' ' 70' ' ' ILE . 23.9 mm -115.86 120.23 64.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -80.48 176.31 9.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.5 m -74.35 145.67 43.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.429 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.68 -12.33 56.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 97.9 mtp -88.26 129.32 35.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.52 130.15 37.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 29.8 p -139.27 164.72 29.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.332 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -125.49 125.55 5.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.12 . . . . 0.0 110.995 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.711 HD22 HD11 ' A' ' 60' ' ' LEU . 4.5 pp -114.37 142.33 46.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 18.1 p -125.7 142.0 51.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.979 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.974 HD13 ' CG ' ' A' ' 56' ' ' TRP . 19.3 mt -98.72 149.9 22.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -65.02 -19.61 66.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -100.64 87.1 3.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.68 -23.1 4.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.0 mttp -53.12 -47.36 68.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 0.0 109.284 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.741 HG21 ' HB2' ' A' ' 56' ' ' TRP . 57.9 t -65.36 123.09 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -110.69 144.35 39.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.278 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.727 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -104.7 143.09 33.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.948 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.416 ' HG3' ' NH2' ' A' ' 50' ' ' ARG . 3.1 mmtm -126.16 159.5 62.01 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 89.31 1.17 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.433 1.754 . . . . 0.0 110.977 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 155.0 -22.44 0.59 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.408 ' HB2' HD12 ' A' ' 15' ' ' ILE . 2.4 m-20 -56.16 -170.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -144.66 149.47 35.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 27.6 t -129.33 102.57 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.554 HD12 ' HG2' ' A' ' 12' ' ' GLU . 20.7 mm -99.8 119.56 48.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 11.5 t -101.27 99.75 10.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 108.287 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.441 ' CE1' ' HE2' ' A' ' 47' ' ' LYS . 19.1 p90 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 111.004 -0.422 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.434 ' CD1' ' HE3' ' A' ' 44' ' ' LYS . 17.8 mt -81.92 -34.88 12.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 175.93 146.09 5.79 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.459 ' HG2' HD12 ' A' ' 97' ' ' ILE . 1.5 mp0 -115.53 136.34 53.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.37 147.95 45.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.55 134.0 55.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.082 . . . . 0.0 109.967 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.604 HD13 ' HB3' ' A' ' 90' ' ' PHE . 57.1 mt -83.34 120.6 34.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 mt -95.14 -38.82 10.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -143.2 158.97 43.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.506 HG22 ' CG2' ' A' ' 15' ' ' ILE . 19.8 p -142.48 137.85 30.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.388 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.544 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 8.7 p90 -152.24 -179.18 7.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.43 HG23 ' HA ' ' A' ' 29' ' ' PRO . 2.8 m -119.82 164.27 16.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 110.397 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.595 HG22 ' O ' ' A' ' 28' ' ' ILE . 6.6 m -136.65 157.83 36.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 4.1 m -121.86 127.15 50.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.397 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.527 ' CG ' ' CD1' ' A' ' 28' ' ' ILE . 0.3 OUTLIER -152.01 99.4 2.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.31 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.04 55.26 3.58 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt 52.15 22.64 1.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 109.264 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 22' ' ' THR . 1.6 mtmt -110.89 161.76 15.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -131.67 92.44 3.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.595 ' O ' HG22 ' A' ' 21' ' ' VAL . 1.9 mp -96.94 120.16 62.1 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.43 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.4 Cg_endo -74.99 123.45 7.9 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.492 1.785 . . . . 0.0 110.96 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.569 HG23 HG22 ' A' ' 21' ' ' VAL . 53.7 t -105.85 153.79 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.827 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -133.53 121.91 22.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.8 123.94 38.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.4 p -139.81 158.45 44.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 108.318 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.05 116.94 29.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.655 HG21 HG22 ' A' ' 73' ' ' ILE . 92.5 t -51.74 113.64 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -79.03 -48.17 14.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.352 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.92 149.05 30.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.0 -137.51 18.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.633 ' OE1' HG13 ' A' ' 72' ' ' VAL . 2.7 pt20 -157.2 174.8 14.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 0.739 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.522 HD22 ' SG ' ' A' ' 98' ' ' CYS . 45.8 mt -117.34 124.59 49.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -102.62 121.48 42.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.457 ' HG2' ' CD2' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -74.66 73.98 2.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.454 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 4.8 p-80 165.64 -34.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.606 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.434 ' HE3' ' CD1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -61.63 178.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.557 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -94.03 150.81 20.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.557 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 16.2 m-85 -146.47 178.19 8.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.555 ' HD2' HD11 ' A' ' 49' ' ' ILE . 8.2 pttt -163.56 155.21 17.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.718 HD23 HG13 ' A' ' 55' ' ' ILE . 21.1 tp -106.9 122.34 46.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.759 HD12 ' N ' ' A' ' 49' ' ' ILE . 2.3 mp -108.47 114.52 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.47 ' HB2' ' CD1' ' A' ' 55' ' ' ILE . 7.1 ttp-105 -126.45 119.12 26.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.462 ' N ' ' OD1' ' A' ' 51' ' ' ASN . 0.8 OUTLIER 75.36 3.24 3.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.53 -12.01 42.91 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -103.95 147.64 27.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 110.312 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.444 HG22 HG13 ' A' ' 49' ' ' ILE . 4.7 t -87.48 133.91 29.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.718 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -105.21 -43.56 7.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.803 ' CG ' HD13 ' A' ' 83' ' ' LEU . 40.3 t90 -124.63 138.43 54.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 107.993 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.02 113.36 9.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.508 ' C ' ' CH2' ' A' ' 56' ' ' TRP . . . 168.79 -158.06 30.49 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.2 p -105.99 152.47 23.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.767 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.589 ' CD2' HD13 ' A' ' 81' ' ' LEU . 8.9 mt -73.82 158.17 35.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 64.8 p -106.33 -26.74 11.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.415 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -148.68 162.78 39.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.011 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.457 ' CD2' ' HG2' ' A' ' 42' ' ' ARG . 2.5 tp -170.61 123.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -130.33 150.15 51.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 2.2 t60 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.582 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.448 HG21 HD11 ' A' ' 73' ' ' ILE . 12.5 tt -92.26 168.6 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.228 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.22 -34.83 4.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.633 HG13 ' OE1' ' A' ' 39' ' ' GLN . 5.6 t -119.98 142.43 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.655 HG22 HG21 ' A' ' 35' ' ' VAL . 7.5 mm -122.75 125.97 73.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -79.21 -171.36 2.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.2 m -85.53 146.32 26.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.401 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 73.65 3.62 63.54 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.515 1.135 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.5 mmm -94.61 132.55 39.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 0.74 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.412 ' O ' ' ND1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -84.74 142.19 30.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.458 ' HB3' HD12 ' A' ' 73' ' ' ILE . 27.6 p -162.32 162.44 27.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 108.322 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -122.52 139.0 12.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.589 HD13 ' CD2' ' A' ' 60' ' ' LEU . 4.6 pp -130.55 152.06 50.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 0.748 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.5 p -135.82 153.26 51.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.001 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.803 HD13 ' CG ' ' A' ' 56' ' ' TRP . 4.6 mt -107.37 146.17 31.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -54.93 -20.28 8.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -94.68 133.6 38.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -91.5 -32.43 15.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.65 -42.7 62.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.652 HG21 ' HB2' ' A' ' 56' ' ' TRP . 14.6 p -70.09 122.98 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -120.21 138.9 53.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.339 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.827 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -93.86 145.36 24.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.97 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.93 161.48 61.22 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 54.89 3.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -174.65 33.04 0.1 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.452 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 0.1 OUTLIER -117.18 -165.97 1.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.773 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' ILE . 33.8 mt-30 -153.42 152.5 31.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.5 t -128.73 97.92 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.459 HD12 ' HG2' ' A' ' 12' ' ' GLU . 8.4 mm -88.78 109.74 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.522 ' SG ' HD22 ' A' ' 40' ' ' LEU . 3.9 m -97.85 94.01 6.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 108.319 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 20.0 p90 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 111.017 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 110.978 -0.431 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.1 mt -73.68 -45.37 50.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -167.98 146.77 10.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -100.8 143.55 30.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.93 130.51 35.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.59 140.57 34.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.515 ' CG2' HG22 ' A' ' 18' ' ' THR . 75.0 mt -88.23 118.56 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.735 HD11 ' HB2' ' A' ' 34' ' ' ARG . 10.3 mt -91.51 -39.02 12.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.1 162.15 38.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.515 HG22 ' CG2' ' A' ' 15' ' ' ILE . 8.7 p -143.82 143.55 31.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.365 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -161.61 -177.22 5.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 29' ' ' PRO . 7.4 m -115.43 166.37 11.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 110.446 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 28' ' ' ILE . 6.7 m -137.55 159.89 34.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.1 m -111.11 135.9 50.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.416 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -144.21 99.14 3.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.95 -47.85 3.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -179.83 -38.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.46 175.04 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.37 101.25 5.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.657 HD12 ' N ' ' A' ' 28' ' ' ILE . 3.8 mp -90.42 123.51 65.27 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.409 ' HA ' ' HA ' ' A' ' 20' ' ' THR . 18.2 Cg_endo -75.02 129.26 12.17 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.541 HG23 HG22 ' A' ' 21' ' ' VAL . 77.4 t -116.81 157.87 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.811 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -133.76 119.54 19.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.94 121.3 31.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.246 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.3 p -132.6 151.32 51.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 108.309 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.735 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -107.85 118.56 37.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.68 HG21 HG22 ' A' ' 73' ' ' ILE . 51.9 t -55.39 118.88 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.454 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 5.6 mm-40 -94.91 -39.36 10.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.454 ' CG ' ' O ' ' A' ' 36' ' ' GLN . 2.1 mttm -155.49 134.56 12.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.47 -151.61 23.51 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.434 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 9.8 pt20 -143.55 167.19 22.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.2 mt -117.98 127.05 53.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.509 ' O ' HD22 ' A' ' 63' ' ' LEU . 27.9 mt-10 -96.07 177.82 5.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.78 -22.61 10.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -114.76 43.78 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.616 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -130.18 173.42 10.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.524 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.6 OUTLIER -90.18 146.88 23.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 98' ' ' CYS . 20.0 m-85 -145.01 173.93 11.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.792 ' CD ' HD11 ' A' ' 49' ' ' ILE . 1.2 pttm -163.48 151.99 13.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.906 HD23 HG13 ' A' ' 55' ' ' ILE . 20.2 tp -104.21 120.32 40.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.792 HD11 ' CD ' ' A' ' 47' ' ' LYS . 2.0 mp -110.52 110.26 31.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.35 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.435 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 9.7 ttp-105 -121.54 115.44 22.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 1.1 t-20 77.16 7.25 3.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.06 -14.16 55.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.11 . . . . 0.0 111.04 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -98.69 150.41 21.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 t -92.95 124.57 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.906 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -95.68 -34.94 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 1.022 ' CG ' HD13 ' A' ' 83' ' ' LEU . 35.1 t90 -136.66 140.43 42.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 107.984 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -137.58 137.63 38.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 147.47 -135.51 5.65 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.42 1.075 . . . . 0.0 111.035 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 p -130.5 152.2 50.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.989 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.67 ' CD2' HD13 ' A' ' 81' ' ' LEU . 14.9 mt -70.5 164.46 24.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.0 p -108.07 -17.33 14.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.5 m -163.01 161.66 25.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.509 HD22 ' O ' ' A' ' 41' ' ' GLU . 12.3 tp -162.23 115.13 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -126.92 160.78 30.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 2.8 t60 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.584 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.8 tt -90.56 164.26 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.466 ' O ' HD23 ' A' ' 63' ' ' LEU . 89.4 p -116.01 -35.56 4.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.7 t -105.28 150.01 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.355 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.68 HG22 HG21 ' A' ' 35' ' ' VAL . 25.0 mm -134.7 122.33 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -78.82 178.25 8.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.9 m -78.69 137.71 37.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.402 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.85 1.89 79.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.451 1.094 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.3 mmm -98.54 138.53 35.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.73 133.95 36.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 24.1 p -150.47 159.07 44.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 108.273 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -124.2 127.99 6.66 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.67 HD13 ' CD2' ' A' ' 60' ' ' LEU . 4.6 pp -114.85 166.66 11.52 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 0.799 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 97.4 p -146.47 156.48 43.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.022 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.022 HD13 ' CG ' ' A' ' 56' ' ' TRP . 12.2 mt -108.09 157.13 18.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -71.22 -17.78 62.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.44 ' C ' ' N ' ' A' ' 87' ' ' LYS . 4.8 tp10 -104.37 73.59 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -39.7 -29.24 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.44 ' N ' ' C ' ' A' ' 85' ' ' GLU . 8.4 mttm -46.31 -46.62 18.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.715 HG11 ' HB2' ' A' ' 56' ' ' TRP . 58.3 t -67.97 119.91 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -107.04 138.73 42.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.341 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.811 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -93.45 147.44 22.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.04 160.12 68.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 104.72 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.524 1.802 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.57 39.72 0.32 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.46 -166.61 1.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 0.737 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -143.52 146.63 33.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.418 HG11 HD21 ' A' ' 81' ' ' LEU . 16.1 t -130.61 99.46 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 46.6 mm -90.33 126.99 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.566 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 20.4 t -111.0 100.72 9.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 108.285 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 45' ' ' LYS . 35.3 p90 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.912 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.553 HG21 ' OE1' ' A' ' 41' ' ' GLU . 69.4 mt -79.81 -40.65 21.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.15 145.91 10.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -114.54 164.56 13.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 110.283 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.8 150.64 30.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.02 134.77 55.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.994 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.531 HD13 ' HB3' ' A' ' 90' ' ' PHE . 61.0 mt -79.93 120.17 30.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.555 HD11 ' HB2' ' A' ' 34' ' ' ARG . 17.7 mt -93.64 -38.27 11.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -143.19 160.48 40.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.528 HG21 ' CA ' ' A' ' 91' ' ' LYS . 34.6 p -140.82 134.79 30.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 0.0 110.406 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' VAL . 6.9 p90 -155.92 -177.83 6.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.659 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.9 m -120.37 163.32 18.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.44 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.593 HG22 HG23 ' A' ' 30' ' ' VAL . 3.8 m -132.5 160.51 42.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.4 m -115.64 138.46 51.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.414 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -141.85 99.49 3.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.49 -49.03 4.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.047 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.07 -40.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 0.775 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.39 172.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.48 98.3 4.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.556 ' O ' HG22 ' A' ' 21' ' ' VAL . 4.3 mp -90.0 125.76 59.52 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.659 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.4 Cg_endo -75.01 137.99 22.42 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.539 1.81 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.593 HG23 HG22 ' A' ' 21' ' ' VAL . 52.0 t -125.9 151.03 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.73 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -128.81 121.53 28.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.74 123.13 35.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 p -133.09 150.24 52.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 108.284 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.555 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -111.46 116.83 31.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.614 HG21 HG22 ' A' ' 73' ' ' ILE . 45.2 t -52.53 125.8 7.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -105.91 -33.63 7.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 110.285 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -147.69 136.63 22.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.17 -157.91 53.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -133.86 176.75 8.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.3 mt -117.14 124.59 49.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.553 ' OE1' HG21 ' A' ' 10' ' ' ILE . 5.5 mt-10 -105.95 117.77 34.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.444 ' CG ' ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -67.28 70.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.335 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.414 ' N ' ' O ' ' A' ' 41' ' ' GLU . 1.7 t-80 -179.11 -44.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.596 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 mmtm -56.9 -171.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.595 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 1.4 mptp? -97.96 165.12 12.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 30.2 m-85 -151.39 160.35 43.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.464 ' HE2' ' CE1' ' A' ' 99' ' ' TYR . 5.3 pttt -150.36 139.05 20.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.419 ' O ' ' CD1' ' A' ' 55' ' ' ILE . 30.4 tp -103.81 101.76 11.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 94' ' ' ASP . 1.6 mp -89.18 117.91 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.577 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 6.6 ttm180 -119.11 110.68 17.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.577 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 11.2 t-20 88.21 -36.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 162.54 -26.66 0.24 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -105.97 150.44 25.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 110.247 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.422 HG12 ' H ' ' A' ' 54' ' ' VAL . 1.3 p -83.7 147.76 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.519 HD11 ' HB2' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -113.03 -32.38 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.779 ' CG ' HD13 ' A' ' 83' ' ' LEU . 78.6 t90 -130.36 133.55 46.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 108.015 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.52 128.28 31.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 46' ' ' PHE . . . 151.24 -160.54 28.73 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.499 1.125 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.59 150.68 21.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 0.739 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.858 HD22 HD13 ' A' ' 81' ' ' LEU . 5.9 mt -72.19 159.46 34.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.528 HG21 ' HB3' ' A' ' 84' ' ' ASP . 69.4 p -102.24 -13.19 17.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.431 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.4 m -159.83 167.54 27.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.444 ' HB3' ' CG ' ' A' ' 42' ' ' ARG . 14.3 tp -176.23 121.22 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -139.53 155.55 47.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 15.5 t60 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.603 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.427 HG21 HD11 ' A' ' 73' ' ' ILE . 5.1 tt -91.8 170.68 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.57 -43.47 3.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.984 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.3 t -109.47 143.4 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.626 HG21 ' SG ' ' A' ' 79' ' ' CYS . 28.4 mm -120.81 116.21 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -76.61 -176.33 3.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.1 m -77.58 152.9 33.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.41 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.83 10.13 57.83 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 65.1 mtp -104.43 123.58 47.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 0.747 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.52 132.27 34.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.626 ' SG ' HG21 ' A' ' 73' ' ' ILE . 13.6 p -147.22 156.0 42.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 108.322 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -119.71 130.26 8.38 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.858 HD13 HD22 ' A' ' 60' ' ' LEU . 3.6 pp -117.56 176.25 5.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.791 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.2 p -156.09 139.39 15.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.99 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.779 HD13 ' CG ' ' A' ' 56' ' ' TRP . 1.1 mt -93.81 142.9 26.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.528 ' HB3' HG21 ' A' ' 61' ' ' THR . 11.6 p-10 -55.95 -26.07 46.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -93.95 91.5 6.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.337 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.68 -19.7 28.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -57.78 -43.03 85.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.609 HG11 ' HB2' ' A' ' 56' ' ' TRP . 23.7 t -67.29 133.71 31.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -122.94 141.18 52.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.73 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -97.59 171.14 8.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.528 ' CA ' HG21 ' A' ' 18' ' ' THR . 24.2 mttm -155.24 159.55 31.64 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 54.7 3.73 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.489 1.784 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -175.71 33.23 0.09 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.421 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 2.4 m-20 -117.24 -171.66 2.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 0.8 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -139.84 154.56 47.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.466 ' C ' HD12 ' A' ' 97' ' ' ILE . 41.5 t -137.22 97.75 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.607 ' N ' HD12 ' A' ' 97' ' ' ILE . 1.2 mp -90.42 122.91 42.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 11.7 t -106.09 96.8 6.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 108.314 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.464 ' CE1' ' HE2' ' A' ' 47' ' ' LYS . 7.6 p90 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 111.053 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.846 0 N-CA-C 110.967 -0.436 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.2 mt -78.33 -44.01 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -165.45 134.56 3.35 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -100.58 125.46 46.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 0.788 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.91 143.0 42.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.95 133.63 55.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.613 HD13 ' HB3' ' A' ' 90' ' ' PHE . 47.7 mt -79.95 126.92 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.612 HD11 ' HB2' ' A' ' 34' ' ' ARG . 8.0 mt -103.84 -34.07 8.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -145.34 155.03 42.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.513 HG21 ' N ' ' A' ' 91' ' ' LYS . 28.7 p -140.38 137.34 33.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.374 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 10.1 p90 -152.98 -178.57 7.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -119.67 163.08 17.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.432 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.621 HG22 HG23 ' A' ' 30' ' ' VAL . 3.6 m -138.39 160.88 31.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.7 m -115.12 126.62 54.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.416 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -148.03 98.78 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.309 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.09 56.44 4.03 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.0 mttt 51.07 28.28 3.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 0.775 . . . . 0.0 109.273 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 mtmm -119.11 170.19 9.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.37 92.61 3.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.533 ' O ' HG22 ' A' ' 21' ' ' VAL . 4.4 mp -94.51 119.68 66.02 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 122.94 7.53 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.458 1.767 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.621 HG23 HG22 ' A' ' 21' ' ' VAL . 78.1 t -105.38 157.45 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.826 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -136.7 119.1 15.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.23 119.35 33.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.2 p -131.12 152.9 49.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 108.304 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.612 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -109.77 117.25 33.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.5 t -51.44 120.71 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -94.37 -34.96 12.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 110.332 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -148.36 143.12 26.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.14 -137.9 27.19 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.46 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 6.9 pt20 -154.45 174.22 15.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.3 mt -116.89 124.62 49.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -110.82 129.65 55.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.441 ' CG ' ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -78.02 82.59 4.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 177.04 -56.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.579 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -52.71 -176.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.55 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 5.2 mttt -98.19 164.61 12.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 98' ' ' CYS . 28.5 m-85 -148.58 173.65 12.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.691 ' HD2' HD11 ' A' ' 49' ' ' ILE . 15.4 pttm -160.88 147.03 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.567 HD21 ' HA ' ' A' ' 90' ' ' PHE . 20.7 tp -103.79 107.24 18.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.691 HD11 ' HD2' ' A' ' 47' ' ' LYS . 3.1 mp -92.0 121.18 42.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.557 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 2.6 ttm180 -131.62 111.24 11.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.097 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.557 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 4.5 t30 87.03 -12.34 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 130.05 -22.88 4.74 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -106.43 147.17 29.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 0.716 . . . . 0.0 110.343 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.506 HG12 HG13 ' A' ' 49' ' ' ILE . 0.6 OUTLIER -79.29 147.61 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.518 ' CD1' ' O ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -114.72 -15.51 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.874 ' CD2' HD22 ' A' ' 83' ' ' LEU . 53.1 t90 -146.89 138.94 24.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 107.994 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.1 131.81 37.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.488 ' O ' ' CH2' ' A' ' 56' ' ' TRP . . . 141.37 -164.79 26.53 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.472 1.107 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.35 151.58 21.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 110.012 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.919 HD22 ' HB2' ' A' ' 81' ' ' LEU . 0.8 OUTLIER -67.84 167.69 13.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.468 ' CG2' ' HB3' ' A' ' 84' ' ' ASP . 24.0 p -104.53 -19.85 13.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.354 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.8 m -161.64 169.45 21.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.441 ' HB3' ' CG ' ' A' ' 42' ' ' ARG . 10.2 tp -169.4 122.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -132.95 149.23 52.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.541 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 33.8 t60 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.593 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.715 ' CG2' HD11 ' A' ' 73' ' ' ILE . 9.5 tt -90.67 169.27 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 m -118.1 -39.92 3.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.987 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.8 t -116.79 135.1 58.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.715 HD11 ' CG2' ' A' ' 70' ' ' ILE . 19.8 mm -113.38 116.72 53.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -73.38 -175.35 1.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 57.0 m -78.9 144.08 35.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.415 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.85 12.94 84.12 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.5 mmm -106.35 127.57 53.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 111.039 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.93 129.77 35.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 18.9 p -143.79 157.15 44.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 0.0 108.305 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -116.32 130.34 8.95 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.919 ' HB2' HD22 ' A' ' 60' ' ' LEU . 4.4 pp -121.91 151.18 40.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 p -130.49 134.81 47.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.051 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.874 HD22 ' CD2' ' A' ' 56' ' ' TRP . 13.3 mt -86.35 164.05 17.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.468 ' HB3' ' CG2' ' A' ' 61' ' ' THR . 2.2 p30 -90.99 41.54 1.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.636 ' O ' HG12 ' A' ' 88' ' ' VAL . 3.4 tp10 -159.88 130.53 5.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.46 -33.65 25.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -48.12 -45.93 33.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.346 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.636 HG12 ' O ' ' A' ' 85' ' ' GLU . 12.2 p -64.9 144.09 15.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -141.37 122.28 14.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.826 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 3.5 m-85 -76.04 -178.72 4.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.978 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.513 ' N ' HG21 ' A' ' 18' ' ' THR . 0.1 OUTLIER -172.02 155.7 3.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 54.75 3.76 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -177.37 34.09 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -120.71 -172.25 2.34 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.484 0.755 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -138.68 146.83 42.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 110.319 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.7 t -127.84 99.15 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.8 mm -86.93 132.57 32.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.56 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 9.4 t -117.14 96.14 5.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 108.3 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 16.8 p90 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.404 ' HA ' ' CB ' ' A' ' 99' ' ' TYR . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 111.001 -0.423 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.965 HD12 ' HA ' ' A' ' 99' ' ' TYR . 2.7 mt -69.74 -31.92 50.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 179.55 142.13 4.87 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.445 ' HB2' ' CE ' ' A' ' 37' ' ' LYS . 35.4 mt-10 -106.32 146.21 30.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.766 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 96' ' ' VAL . . . -141.2 135.01 30.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 33' ' ' CYS . 3.5 m -105.51 161.52 14.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.595 HD13 ' HB3' ' A' ' 90' ' ' PHE . 88.6 mt -101.9 124.48 55.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.822 HD11 ' HB2' ' A' ' 34' ' ' ARG . 6.5 mt -98.91 -37.85 9.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -145.35 151.45 38.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.637 HG21 ' CA ' ' A' ' 91' ' ' LYS . 30.7 p -133.93 135.9 43.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.457 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.469 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 14.1 p90 -153.6 -178.06 6.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.654 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.7 m -124.04 163.27 21.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.42 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.57 HG22 HG23 ' A' ' 30' ' ' VAL . 8.0 m -133.79 157.61 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.4 m -116.54 133.6 55.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.391 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -145.96 100.7 3.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . 75.38 40.88 32.1 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 111.034 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 4.2 tttt 87.2 -45.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.575 ' CG ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -58.76 167.89 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.266 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 0.1 OUTLIER -132.52 108.12 8.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.616 HD12 ' N ' ' A' ' 28' ' ' ILE . 4.0 mp -94.69 129.89 34.93 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.654 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.2 Cg_endo -75.03 138.81 23.44 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.57 HG23 HG22 ' A' ' 21' ' ' VAL . 51.5 t -129.52 154.8 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.663 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -139.66 119.52 13.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.88 115.49 26.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 14' ' ' SER . 1.3 p -124.79 149.13 47.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 108.3 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.822 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -112.18 121.94 46.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.479 HG21 HG22 ' A' ' 73' ' ' ILE . 30.6 t -60.02 119.3 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -99.69 -28.78 13.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.285 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.445 ' CE ' ' HB2' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -150.97 139.57 20.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.08 -147.23 42.56 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -143.82 170.16 16.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.763 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.0 mt -117.63 124.83 49.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -109.22 165.36 11.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.2 69.27 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -179.97 -45.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.657 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -52.09 175.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.558 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.4 OUTLIER -95.06 156.11 16.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.558 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 18.9 m-85 -146.22 171.61 14.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 111.054 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.632 ' HD2' HD11 ' A' ' 49' ' ' ILE . 0.4 OUTLIER -163.7 150.7 12.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.81 HD23 HG13 ' A' ' 55' ' ' ILE . 25.7 tp -105.0 120.39 41.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.704 HD12 ' N ' ' A' ' 49' ' ' ILE . 2.1 mp -106.77 117.13 51.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 8.3 ttm180 -123.66 114.22 19.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 0.6 OUTLIER 77.15 1.0 3.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.82 -15.19 24.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.446 1.091 . . . . 0.0 111.049 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -99.73 146.52 26.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.666 HG22 HG13 ' A' ' 49' ' ' ILE . 78.3 t -86.72 135.6 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.81 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -108.09 -33.48 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.859 ' CG ' HD13 ' A' ' 83' ' ' LEU . 69.7 t90 -137.8 135.54 36.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 107.99 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -137.92 113.76 9.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.465 ' O ' ' CH2' ' A' ' 56' ' ' TRP . . . 167.41 -166.77 39.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 p -91.79 152.68 20.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 109.96 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.675 HD22 HD13 ' A' ' 81' ' ' LEU . 15.2 mt -74.8 153.89 38.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 59.7 p -90.77 -27.72 18.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 110.398 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.7 m -157.69 157.24 33.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.4 tp -154.11 115.26 4.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -131.83 155.7 47.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.606 ' CD2' ' O ' ' A' ' 78' ' ' ASP . 64.4 t-80 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.567 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.613 HG21 HD11 ' A' ' 73' ' ' ILE . 13.8 tt -91.84 167.27 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.9 t -115.7 -36.37 4.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.981 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.2 t -117.52 142.26 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.613 HD11 HG21 ' A' ' 70' ' ' ILE . 19.0 mm -122.01 117.34 52.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.098 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -73.49 -178.02 2.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 73.0 m -79.13 145.49 33.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.404 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 75.39 18.0 80.03 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.453 ' SD ' ' NE2' ' A' ' 65' ' ' HIS . 4.2 mmm -109.97 136.67 48.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.606 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 0.4 OUTLIER -94.57 127.51 40.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 14.2 p -140.73 156.37 46.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 108.324 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -118.85 128.73 7.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.153 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.675 HD13 HD22 ' A' ' 60' ' ' LEU . 4.6 pp -121.25 163.53 18.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.43 0.723 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 12.8 p -145.06 145.15 31.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.97 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.859 HD13 ' CG ' ' A' ' 56' ' ' TRP . 10.1 mt -97.42 147.04 24.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.18 -26.04 67.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.27 92.03 7.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.264 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -56.45 -18.75 12.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -44.59 91.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.607 HG11 ' HB2' ' A' ' 56' ' ' TRP . 47.5 t -66.77 128.6 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -120.65 136.53 54.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 110.263 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.663 ' CD2' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -89.48 -172.73 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.637 ' CA ' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -175.09 158.66 2.18 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 58.23 4.85 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.461 1.769 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -178.35 35.07 0.08 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.455 ' HB2' HD12 ' A' ' 15' ' ' ILE . 24.8 m-20 -126.44 179.91 5.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.784 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -133.31 154.18 50.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 13' ' ' ALA . 24.9 t -130.82 98.69 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.572 ' N ' HD12 ' A' ' 97' ' ' ILE . 1.2 mp -86.27 114.64 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.498 ' SG ' ' CE2' ' A' ' 46' ' ' PHE . 38.7 t -99.49 97.14 8.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 108.336 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.965 ' HA ' HD12 ' A' ' 10' ' ' ILE . 3.1 p90 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 110.933 -0.449 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.3 mt -77.26 -43.81 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.409 ' CA ' ' HA3' ' A' ' 38' ' ' GLY . . . -163.41 142.02 7.55 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -101.89 161.57 13.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 110.347 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.663 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . . . -149.86 148.36 29.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.38 128.68 49.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.553 HD13 ' HB3' ' A' ' 90' ' ' PHE . 56.8 mt -77.27 116.36 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.77 HD11 ' HB2' ' A' ' 34' ' ' ARG . 15.3 mt -90.18 -35.79 15.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -147.32 163.85 35.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.468 HG22 ' CG2' ' A' ' 15' ' ' ILE . 15.3 p -142.39 146.75 35.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.163 . . . . 0.0 110.396 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.55 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 22.9 p90 -165.06 -177.34 4.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.459 HG23 ' HA ' ' A' ' 29' ' ' PRO . 11.1 m -122.28 169.14 11.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 110.391 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.64 HG22 HG23 ' A' ' 30' ' ' VAL . 5.2 m -142.17 159.2 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.5 m -112.8 135.35 53.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -140.34 99.16 3.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.25 -49.97 4.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -174.19 -40.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.302 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.419 ' CG ' ' N ' ' A' ' 27' ' ' LYS . 3.3 ttpm? -67.78 158.98 31.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.419 ' N ' ' CG ' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -118.68 105.44 11.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.574 ' O ' HG22 ' A' ' 21' ' ' VAL . 3.7 mp -92.18 122.49 64.78 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.459 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.2 Cg_endo -75.02 123.62 8.01 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.789 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.64 HG23 HG22 ' A' ' 21' ' ' VAL . 70.2 t -107.15 157.78 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.41 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -138.02 116.22 11.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.07 121.74 29.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 p -133.91 153.39 51.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 108.311 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.77 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -107.68 127.01 53.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.33 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.755 HG22 HD23 ' A' ' 40' ' ' LEU . 89.7 t -67.84 112.98 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -87.02 -43.64 12.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.52 147.47 31.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.409 ' HA3' ' CA ' ' A' ' 11' ' ' GLY . . . 78.22 -142.59 26.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.731 ' C ' HD22 ' A' ' 40' ' ' LEU . 8.0 pt20 -160.45 154.2 22.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 0.746 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.755 HD23 HG22 ' A' ' 35' ' ' VAL . 0.6 OUTLIER -115.18 123.32 48.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.552 ' HG3' HG22 ' A' ' 72' ' ' VAL . 1.1 tt0 -102.16 178.25 4.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.02 58.35 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.411 ' O ' ' O ' ' A' ' 44' ' ' LYS . 37.1 t-80 -175.8 -44.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.614 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 43' ' ' HIS . 32.1 mmtt -51.81 -176.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.559 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 1.2 mttt -101.03 155.26 18.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.559 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 25.2 m-85 -150.23 177.29 10.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.52 ' HD2' HD11 ' A' ' 49' ' ' ILE . 1.3 pttt -161.99 152.38 17.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.9 HD23 HG13 ' A' ' 55' ' ' ILE . 16.9 tp -104.08 118.27 36.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.872 HD13 HD13 ' A' ' 97' ' ' ILE . 2.8 mp -104.1 115.51 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 20.4 ttp85 -121.17 111.43 17.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.575 1.172 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 0.8 OUTLIER 78.42 1.0 2.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.23 -16.9 22.15 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -97.06 148.06 23.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 0.737 . . . . 0.0 110.335 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 t -87.74 136.55 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.257 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.9 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -109.07 -43.08 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 1.031 ' CG ' HD13 ' A' ' 83' ' ' LEU . 22.5 t90 -126.66 139.72 52.95 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.98 132.12 31.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.364 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 147.07 -162.42 28.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.6 m -96.72 148.12 23.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 0.724 . . . . 0.0 109.985 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.509 HD22 HD13 ' A' ' 81' ' ' LEU . 12.4 mt -72.67 163.09 28.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.352 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.69 HG21 ' HB2' ' A' ' 84' ' ' ASP . 76.4 p -110.34 -17.38 13.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.431 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -153.45 159.8 42.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.021 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.7 tp -169.13 106.43 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -117.15 156.3 27.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.363 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.501 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 3.0 t60 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.645 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.762 ' CG2' HD11 ' A' ' 73' ' ' ILE . 13.0 tt -93.85 171.33 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 1.1 t -114.53 -37.46 4.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.97 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.552 HG22 ' HG3' ' A' ' 41' ' ' GLU . 21.2 t -117.11 151.64 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.762 HD11 ' CG2' ' A' ' 70' ' ' ILE . 17.5 mm -132.86 108.04 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -72.51 -174.58 1.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 92.0 m -77.35 146.7 36.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.56 -1.27 72.84 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.1 mmm -95.36 128.33 42.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.63 135.42 33.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 109.238 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.537 ' SG ' HG21 ' A' ' 73' ' ' ILE . 29.5 p -152.22 163.64 39.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.162 . . . . 0.0 108.3 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -124.44 134.04 8.92 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.565 HD21 HG21 ' A' ' 96' ' ' VAL . 4.4 pp -121.05 157.68 29.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 0.785 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 m -144.35 133.08 22.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.975 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.031 HD13 ' CG ' ' A' ' 56' ' ' TRP . 3.2 mt -90.17 140.22 29.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.69 ' HB2' HG21 ' A' ' 61' ' ' THR . 14.1 t70 -50.35 -24.93 3.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -87.69 133.65 33.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.327 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -94.03 -25.59 17.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.35 -44.37 80.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.711 HG11 HD12 ' A' ' 83' ' ' LEU . 9.7 p -64.97 124.44 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -116.5 137.77 51.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.553 ' HB3' HD13 ' A' ' 15' ' ' ILE . 0.9 OUTLIER -96.51 166.49 11.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 111.034 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -150.15 157.96 36.94 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 55.12 3.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.508 1.793 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.13 33.84 0.09 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -118.04 -168.61 1.54 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 9.4 mt-30 -147.42 148.06 30.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.663 ' HB ' ' HB3' ' A' ' 13' ' ' ALA . 2.5 t -120.44 99.13 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.872 HD13 HD13 ' A' ' 49' ' ' ILE . 1.2 mp -87.76 132.31 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.42 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 8.0 t -115.51 101.37 8.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.303 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 16.9 p90 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 110.989 -0.427 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.6 mt -67.74 -38.17 79.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -177.72 144.02 6.39 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.464 1.102 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -104.71 171.13 7.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 0.739 . . . . 0.0 110.344 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.876 ' CB ' HD11 ' A' ' 40' ' ' LEU . . . -161.58 133.25 5.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 m -99.82 144.81 28.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.635 HD13 ' HB3' ' A' ' 90' ' ' PHE . 59.4 mt -90.34 118.47 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.633 HD11 ' HB2' ' A' ' 34' ' ' ARG . 7.9 mt -91.93 -40.11 11.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -143.86 159.17 43.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.483 HG22 ' CG2' ' A' ' 15' ' ' ILE . 24.7 p -142.91 134.72 26.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.401 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -152.12 -177.81 6.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.5 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.8 m -119.09 163.34 17.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.637 HG22 HG23 ' A' ' 30' ' ' VAL . 4.9 m -139.51 160.22 27.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.403 ' O ' ' OE1' ' A' ' 23' ' ' GLU . 10.0 m -101.88 133.14 47.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.402 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' A' ' 22' ' ' THR . 6.7 mm-40 -145.68 98.95 3.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.18 33.89 48.09 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.499 1.124 . . . . 0.0 111.051 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 74.61 15.41 3.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.456 ' HE3' HD11 ' A' ' 28' ' ' ILE . 3.2 mtmt -106.68 -179.68 4.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.588 ' C ' HD13 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -124.07 100.48 6.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.588 HD13 ' C ' ' A' ' 27' ' ' LYS . 2.7 mm -100.09 118.33 61.67 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.5 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.3 Cg_endo -75.0 130.89 13.7 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.637 HG23 HG22 ' A' ' 21' ' ' VAL . 76.5 t -120.85 157.57 23.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.946 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -138.27 116.81 12.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.09 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.66 111.28 21.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.5 p -122.6 145.43 48.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 108.319 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.633 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -103.92 119.94 39.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 110.273 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.575 HG21 HG22 ' A' ' 73' ' ' ILE . 47.9 t -60.99 116.77 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -92.67 -35.61 13.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -148.68 143.5 26.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.06 -147.14 49.0 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.563 1.165 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.488 ' NE2' HG11 ' A' ' 72' ' ' VAL . 9.9 pt20 -143.07 167.86 21.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.876 HD11 ' CB ' ' A' ' 13' ' ' ALA . 35.0 mt -116.63 122.61 45.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.524 ' HG2' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -78.83 178.6 7.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.424 ' HD2' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -110.66 -35.48 5.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -92.57 -36.37 13.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.562 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.43 ' CG ' ' CB ' ' A' ' 41' ' ' GLU . 26.7 mmtt -44.74 168.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.577 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 1.5 mptp? -91.84 154.82 18.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.577 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 23.3 m-85 -148.56 174.41 12.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.2 pttt -160.31 151.05 18.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.649 HD23 HG13 ' A' ' 55' ' ' ILE . 24.8 tp -104.09 119.75 39.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.737 HD12 ' N ' ' A' ' 49' ' ' ILE . 2.3 mp -107.2 116.13 50.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 27.8 ttp85 -121.52 112.12 18.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 4.3 t30 78.16 1.36 2.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.75 -15.03 26.75 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -95.95 149.11 21.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 0.726 . . . . 0.0 110.277 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 t -90.49 132.43 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.649 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -105.98 -41.9 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.985 ' CG ' HD13 ' A' ' 83' ' ' LEU . 71.5 t90 -125.42 138.01 54.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 108.001 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.38 113.59 9.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 168.28 -152.36 20.35 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.74 146.24 36.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.777 . . . . 0.0 110.013 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.991 HD22 HD13 ' A' ' 81' ' ' LEU . 18.8 mt -64.84 154.67 36.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.6 p -92.3 -27.05 17.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.422 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.9 m -158.33 176.83 11.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.97 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.424 ' N ' ' HD2' ' A' ' 42' ' ' ARG . 3.9 tp -176.23 107.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -116.08 153.32 31.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.505 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 2.1 t60 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.609 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.418 ' CG2' HD11 ' A' ' 73' ' ' ILE . 9.2 tt -97.13 162.14 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.0 p -92.2 -58.4 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.524 HG12 ' HG2' ' A' ' 41' ' ' GLU . 15.2 m -105.04 167.02 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.575 HG22 HG21 ' A' ' 35' ' ' VAL . 23.5 mm -132.48 101.62 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -54.02 177.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.258 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.2 m -74.56 150.33 39.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.373 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.54 -1.96 59.79 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.1 mmm -89.1 135.66 33.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 0.736 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.11 124.22 45.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 30.9 p -141.98 161.25 38.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 108.277 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -125.66 123.89 5.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.991 HD13 HD22 ' A' ' 60' ' ' LEU . 4.6 pp -112.91 169.41 8.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.3 p -146.61 153.89 40.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.014 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.985 HD13 ' CG ' ' A' ' 56' ' ' TRP . 11.7 mt -106.34 143.49 34.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -53.6 -22.47 8.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -94.85 134.49 37.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -90.6 -32.85 16.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.347 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.92 -45.71 51.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.616 HG21 ' HB2' ' A' ' 56' ' ' TRP . 9.3 p -65.96 130.72 31.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -128.19 131.87 48.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.946 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 1.6 m-85 -81.69 150.69 27.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -133.15 155.41 81.01 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 55.02 3.82 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.543 1.812 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.88 33.88 0.08 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -121.81 -175.76 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.789 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -133.59 155.61 49.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.426 ' C ' HD12 ' A' ' 97' ' ' ILE . 21.2 t -133.51 99.01 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.637 ' N ' HD12 ' A' ' 97' ' ' ILE . 1.3 mp -88.44 122.39 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.496 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 31.8 t -105.98 98.6 8.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.299 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 9.8 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.901 0 N-CA-C 111.026 -0.413 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.428 ' N ' ' O ' ' A' ' 98' ' ' CYS . 70.0 mt -68.99 -42.35 82.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 177.84 144.42 5.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.564 1.165 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -100.64 164.74 11.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.585 ' CB ' HD11 ' A' ' 40' ' ' LEU . . . -158.73 134.24 8.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.2 m -100.94 149.69 23.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.006 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.669 HD13 ' HB3' ' A' ' 90' ' ' PHE . 53.2 mt -91.98 119.59 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.712 HD11 ' HB2' ' A' ' 34' ' ' ARG . 10.6 mt -91.43 -36.4 13.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.26 163.15 39.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.417 HG22 ' CG2' ' A' ' 15' ' ' ILE . 19.1 p -142.38 138.69 31.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.445 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -155.26 -177.87 6.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 m -117.4 165.5 13.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.409 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 28' ' ' ILE . 6.7 m -136.3 158.45 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.3 m -116.32 136.99 52.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.383 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -141.97 99.3 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 110.316 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.24 -48.09 3.98 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.41 -39.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.65 175.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.03 106.08 7.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.698 HD12 ' N ' ' A' ' 28' ' ' ILE . 3.0 mp -97.21 127.66 37.72 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 28' ' ' ILE . 18.4 Cg_endo -74.95 142.74 28.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.517 HG23 HG22 ' A' ' 21' ' ' VAL . 56.0 t -132.09 152.29 36.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.815 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -132.55 115.18 15.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.75 116.8 22.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.7 p -127.92 145.12 51.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 108.283 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.712 ' HB2' HD11 ' A' ' 16' ' ' LEU . 1.6 tpt180 -105.66 115.75 30.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.58 HG21 HG22 ' A' ' 73' ' ' ILE . 86.9 t -56.31 118.65 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 109.326 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -93.45 -37.08 12.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -144.62 147.13 32.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.08 -146.29 45.55 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.45 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 8.3 pt20 -143.83 170.78 15.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 0.777 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.585 HD11 ' CB ' ' A' ' 13' ' ' ALA . 16.8 mt -116.03 122.75 46.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.51 ' O ' HD22 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -75.5 171.14 14.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.412 1.07 . . . . 0.0 110.325 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.542 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -111.13 122.53 48.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 110.282 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.542 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 2.0 t60 90.41 -24.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.566 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.465 ' HG3' ' CB ' ' A' ' 41' ' ' GLU . 37.0 mmtt -49.92 179.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.574 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 5.8 mptt -90.53 141.49 28.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.574 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 21.8 m-85 -148.03 179.11 7.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -162.22 152.03 16.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.833 HD23 HG13 ' A' ' 55' ' ' ILE . 28.8 tp -104.21 121.31 43.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.777 HD12 ' N ' ' A' ' 49' ' ' ILE . 1.8 mp -110.85 113.06 43.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 21.2 ttm180 -119.96 113.47 20.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.26 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 7.8 m-20 77.66 1.27 2.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.08 -14.95 28.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -94.91 149.24 21.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 0.785 . . . . 0.0 110.296 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.5 t -92.25 126.36 44.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.833 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -99.87 -41.85 9.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.779 ' CG ' HD13 ' A' ' 83' ' ' LEU . 59.8 t90 -128.3 135.88 50.22 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.95 115.93 11.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 169.19 -145.4 9.38 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.42 141.2 48.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 0.736 . . . . 0.0 109.996 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.994 HD22 HD13 ' A' ' 81' ' ' LEU . 67.1 mt -59.25 168.55 1.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.9 p -108.21 -23.17 12.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.384 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -167.38 156.16 9.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.51 HD22 ' O ' ' A' ' 41' ' ' GLU . 14.9 tp -155.33 105.09 2.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -115.25 162.09 17.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.514 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 3.5 t60 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.608 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.9 tt -95.81 160.11 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.25 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.79 -58.69 2.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.469 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 10.3 m -102.82 163.46 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.58 HG22 HG21 ' A' ' 35' ' ' VAL . 28.6 mm -128.08 101.63 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -58.14 176.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.3 m -73.43 145.15 45.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.94 -11.64 56.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.135 . . . . 0.0 110.961 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.432 ' SD ' ' CE1' ' A' ' 65' ' ' HIS . 2.6 mmm -83.23 128.68 34.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.65 127.62 38.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 27.1 p -141.23 159.71 41.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 108.318 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -126.54 121.4 4.01 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.547 1.155 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.994 HD13 HD22 ' A' ' 60' ' ' LEU . 4.5 pp -109.91 168.07 9.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 0.788 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 29.3 t -144.81 150.53 37.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.779 HD13 ' CG ' ' A' ' 56' ' ' TRP . 5.4 mt -103.39 148.03 26.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -63.12 -21.99 66.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -99.86 77.32 2.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.14 -27.0 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -48.79 -47.91 41.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.745 HG11 ' HB2' ' A' ' 56' ' ' TRP . 44.9 t -65.35 127.04 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -116.17 135.44 53.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.343 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.815 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -87.7 162.8 16.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 111.042 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -143.67 156.6 59.59 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 54.8 3.74 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.501 1.79 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -177.54 34.27 0.08 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.549 1.156 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.08 -168.14 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 0.73 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' ILE . 16.5 mt-30 -143.2 153.87 43.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.508 ' C ' HD12 ' A' ' 97' ' ' ILE . 24.7 t -133.97 99.46 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.64 ' N ' HD12 ' A' ' 97' ' ' ILE . 1.3 mp -92.78 113.68 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.464 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 34.2 t -92.95 120.79 33.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 108.292 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.8 p90 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 110.923 -0.453 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.7 mt -73.43 -42.41 56.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -172.1 146.3 9.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -108.32 163.5 13.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.62 131.0 15.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.56 139.54 33.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 110.04 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.647 HD13 ' HB3' ' A' ' 90' ' ' PHE . 42.7 mt -85.17 118.98 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.748 HD11 ' HB2' ' A' ' 34' ' ' ARG . 9.1 mt -92.21 -39.95 11.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -143.27 152.62 41.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.616 HG21 ' CA ' ' A' ' 91' ' ' LYS . 29.9 p -133.96 138.43 45.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.418 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 7.2 p90 -161.45 178.48 9.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.078 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.544 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.8 m -116.14 163.03 16.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.528 HG22 HG23 ' A' ' 30' ' ' VAL . 3.2 m -130.35 161.3 40.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.8 m -121.39 137.17 54.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.369 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.628 ' HG3' HD13 ' A' ' 28' ' ' ILE . 2.4 mt-10 -138.34 99.31 3.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.34 -51.07 4.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -170.56 -44.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 0.761 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 163.35 9.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.92 107.44 11.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.628 HD13 ' HG3' ' A' ' 23' ' ' GLU . 3.5 mp -93.2 135.95 25.05 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.544 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.3 Cg_endo -74.99 147.53 34.08 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.799 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.528 HG23 HG22 ' A' ' 21' ' ' VAL . 51.5 t -143.07 156.03 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.77 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -141.18 115.27 9.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -82.75 102.98 11.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.2 p -113.26 163.68 14.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 108.304 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.748 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -126.25 121.33 32.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.407 HG22 ' HG ' ' A' ' 40' ' ' LEU . 89.5 t -61.29 108.87 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -86.97 -40.86 14.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.54 138.97 38.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.9 -148.73 41.89 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.448 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 11.7 pt20 -146.47 172.26 13.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.783 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.407 ' HG ' HG22 ' A' ' 35' ' ' VAL . 70.4 mt -117.23 124.72 49.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -107.95 123.85 49.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.476 ' CG ' ' HB3' ' A' ' 63' ' ' LEU . 0.8 OUTLIER -71.06 75.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 110.296 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -178.5 -48.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.594 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -55.63 -170.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.598 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 1.2 mttm -102.8 165.91 10.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.598 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 18.9 m-85 -149.68 169.73 20.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.773 ' HD2' HD11 ' A' ' 49' ' ' ILE . 4.2 pttt -163.07 151.53 14.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.66 ' C ' HD12 ' A' ' 49' ' ' ILE . 24.0 tp -104.38 122.82 46.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.773 HD11 ' HD2' ' A' ' 47' ' ' LYS . 1.7 mp -107.34 122.19 61.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.454 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 24.8 ttm180 -127.36 111.61 14.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 11.4 t-20 79.1 -0.65 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.08 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.8 -13.15 22.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -99.44 148.08 24.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.74 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.5 t -86.21 136.32 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.359 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.61 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -110.29 -43.23 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.73 ' HB2' HG21 ' A' ' 88' ' ' VAL . 66.1 t90 -126.82 135.33 50.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 107.986 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.79 129.64 28.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 153.53 -159.57 28.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.4 p -101.05 159.44 15.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 0.743 . . . . 0.0 109.965 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.523 ' HG ' ' CD1' ' A' ' 46' ' ' PHE . 88.6 mt -81.67 163.73 22.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 25.7 p -109.56 -23.78 11.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -160.99 156.5 24.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.476 ' HB3' ' CG ' ' A' ' 42' ' ' ARG . 1.2 tp -165.62 128.82 2.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -138.7 146.53 41.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.57 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.572 ' CG2' HD11 ' A' ' 73' ' ' ILE . 10.4 tt -90.17 166.38 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.6 t -115.98 -38.47 3.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.009 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.2 t -106.59 143.58 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.572 HD11 ' CG2' ' A' ' 70' ' ' ILE . 46.1 mm -127.49 114.88 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -73.11 -177.88 2.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 43.5 m -78.34 143.96 36.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.373 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.96 3.6 88.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.3 mmm -97.4 129.83 44.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.783 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.41 138.23 31.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 27.0 p -153.36 160.9 42.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 108.306 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -121.16 134.78 10.31 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 pp -121.39 161.81 21.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.776 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.2 p -138.8 143.7 39.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.018 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.659 HD22 ' CE3' ' A' ' 56' ' ' TRP . 8.8 mt -98.74 143.33 29.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.64 -45.82 90.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 86' ' ' GLU . 8.8 tp10 -44.79 -63.6 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.532 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER 88.88 -17.69 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.254 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.34 -25.3 27.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.73 HG21 ' HB2' ' A' ' 56' ' ' TRP . 94.9 t -78.85 106.87 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -91.42 137.5 32.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.77 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 1.6 m-85 -86.79 -178.13 6.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.616 ' CA ' HG21 ' A' ' 18' ' ' THR . 0.1 OUTLIER -165.1 155.15 11.94 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 93.34 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.538 1.809 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 151.3 -20.58 0.94 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.437 ' OD1' ' CG ' ' A' ' 91' ' ' LYS . 70.8 m-20 -67.69 -175.12 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -137.8 160.19 39.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.412 ' C ' HD12 ' A' ' 97' ' ' ILE . 24.8 t -137.47 100.0 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.637 ' N ' HD12 ' A' ' 97' ' ' ILE . 1.3 mp -87.9 115.08 27.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.2 t -96.12 98.22 10.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 108.328 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.1 p90 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.874 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.985 HD12 ' HA ' ' A' ' 99' ' ' TYR . 4.2 mt -67.35 -46.95 82.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -152.03 137.94 6.21 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.421 ' HG2' HD12 ' A' ' 97' ' ' ILE . 6.4 mp0 -117.27 121.25 40.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 0.736 . . . . 0.0 110.257 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.488 ' HB2' HD11 ' A' ' 40' ' ' LEU . . . -111.05 151.35 28.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.0 132.26 53.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.701 HD13 ' HB3' ' A' ' 90' ' ' PHE . 71.7 mt -75.9 119.6 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.678 HD11 ' CB ' ' A' ' 34' ' ' ARG . 8.8 mt -95.33 -35.39 11.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.23 155.65 43.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.682 HG21 ' CA ' ' A' ' 91' ' ' LYS . 42.8 p -137.27 141.57 41.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.428 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.639 ' CE1' ' CG1' ' A' ' 30' ' ' VAL . 13.3 p90 -158.79 179.0 9.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.549 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.5 m -125.19 163.55 22.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.387 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.67 HG22 HG23 ' A' ' 30' ' ' VAL . 7.0 m -139.62 158.18 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.3 m -107.8 137.89 45.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.37 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.43 ' HG3' ' CG1' ' A' ' 28' ' ' ILE . 1.2 mm-40 -134.03 99.05 4.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.06 -50.87 4.01 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.477 1.11 . . . . 0.0 111.014 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -169.71 -42.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 0.781 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.642 ' HE3' HD11 ' A' ' 28' ' ' ILE . 23.8 ttpt -71.27 163.0 28.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.463 ' N ' ' CG ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -108.8 127.53 54.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.642 HD11 ' HE3' ' A' ' 26' ' ' LYS . 26.6 mm -104.72 125.25 34.42 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.549 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.4 Cg_endo -75.0 122.7 7.37 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.67 HG23 HG22 ' A' ' 21' ' ' VAL . 78.9 t -113.28 158.03 13.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.74 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -143.52 123.41 13.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.92 120.06 37.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.6 p -131.58 149.36 52.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 108.287 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.678 ' CB ' HD11 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -111.97 120.83 43.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.48 HG21 HG22 ' A' ' 73' ' ' ILE . 75.7 t -56.12 109.6 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -86.75 -41.78 13.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -144.6 135.0 24.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.69 -156.43 36.68 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -141.09 165.38 27.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.488 HD11 ' HB2' ' A' ' 13' ' ' ALA . 72.5 mt -117.2 124.73 49.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.254 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -110.72 142.71 42.27 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.52 1.137 . . . . 0.0 110.247 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.75 68.56 7.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.352 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -169.53 -54.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.611 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -53.46 176.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.477 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.5 OUTLIER -94.66 172.14 8.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 45.0 m-85 -147.78 174.35 11.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.404 ' CE ' ' HB ' ' A' ' 97' ' ' ILE . 5.0 pttt -161.94 144.83 11.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.741 HD23 HG13 ' A' ' 55' ' ' ILE . 14.1 tp -104.17 112.81 25.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.66 HD12 ' N ' ' A' ' 49' ' ' ILE . 2.7 mp -102.29 120.7 52.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.455 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 8.9 ttm180 -125.95 111.58 14.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 4.6 t30 78.91 1.52 2.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.99 -14.47 26.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -99.79 148.19 24.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.3 t -86.71 137.67 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.741 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -111.89 -41.9 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.921 ' CG ' HD13 ' A' ' 83' ' ' LEU . 38.1 t90 -131.66 138.45 48.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 107.957 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.27 137.55 39.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 142.86 -162.64 27.43 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.488 1.118 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.0 m -98.65 156.25 16.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.768 . . . . 0.0 110.044 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.2 mt -82.04 160.27 23.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.9 p -95.32 -17.14 21.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.388 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.9 m -161.03 167.39 26.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.009 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.3 tp -169.92 106.57 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -120.48 169.29 10.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.518 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 1.4 t60 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.558 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.609 HG21 HD11 ' A' ' 73' ' ' ILE . 7.1 tt -95.98 169.68 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.6 t -117.28 -37.21 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.982 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.1 t -120.91 137.21 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.609 HD11 HG21 ' A' ' 70' ' ' ILE . 9.9 mm -116.07 128.01 73.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -85.36 177.13 7.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.1 m -75.71 140.93 42.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.375 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.415 ' HA2' ' NE ' ' A' ' 34' ' ' ARG . . . 84.63 -4.2 85.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.2 mmm -93.79 130.94 39.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 111.029 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.419 ' O ' ' ND1' ' A' ' 65' ' ' HIS . 3.1 m-20 -83.38 144.49 29.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 10.1 p -157.62 154.35 28.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 108.291 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -118.48 144.59 18.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.555 1.16 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.1 pp -139.38 164.25 30.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 43.8 p -149.75 146.51 27.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.011 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.921 HD13 ' CG ' ' A' ' 56' ' ' TRP . 3.5 mt -99.13 138.66 35.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -47.35 -29.65 2.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -85.26 134.93 34.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.345 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.88 -22.81 17.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.332 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -57.7 -45.09 86.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.639 ' CG1' HD12 ' A' ' 83' ' ' LEU . 8.9 p -68.55 126.32 28.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.36 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.421 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 19.7 tt0 -121.47 132.7 54.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.74 ' CD2' ' HB2' ' A' ' 31' ' ' ALA . 1.5 m-85 -82.95 -179.57 7.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.682 ' CA ' HG21 ' A' ' 18' ' ' THR . 16.3 mtmt -166.48 157.16 11.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 54.61 3.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.513 1.797 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.74 33.34 0.08 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 0.4 OUTLIER -116.3 -168.0 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -145.85 145.78 30.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.274 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 18.2 t -129.42 98.28 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.421 HD12 ' HG2' ' A' ' 12' ' ' GLU . 21.9 mm -88.75 126.59 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 8.4 t -108.66 100.34 9.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 108.329 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.985 ' HA ' HD12 ' A' ' 10' ' ' ILE . 41.8 p90 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.0 mt -73.9 -45.91 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -168.97 152.37 19.95 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.411 ' CG ' HD12 ' A' ' 97' ' ' ILE . 1.4 mp0 -112.75 126.75 55.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 0.734 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.43 164.9 12.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.19 130.25 40.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.964 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.801 HD13 ' HB3' ' A' ' 90' ' ' PHE . 30.0 mt -73.98 115.47 15.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.622 HD11 ' HB2' ' A' ' 34' ' ' ARG . 23.6 mt -89.9 -35.92 15.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -148.45 158.33 44.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.527 HG21 ' CA ' ' A' ' 91' ' ' LYS . 25.9 p -140.45 141.22 35.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -160.91 177.04 10.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.495 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.7 m -115.04 163.37 15.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.384 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.598 HG22 ' O ' ' A' ' 28' ' ' ILE . 6.0 m -134.02 158.96 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.8 m -116.84 135.88 53.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.453 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.497 ' HG3' HD13 ' A' ' 28' ' ' ILE . 2.2 mm-40 -138.71 99.31 3.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.9 -49.17 4.03 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -173.14 -44.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.77 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 170.74 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.96 103.31 6.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.598 ' O ' HG22 ' A' ' 21' ' ' VAL . 3.3 mp -90.3 129.31 45.96 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.495 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.3 Cg_endo -75.0 140.57 25.61 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.527 HG23 HG22 ' A' ' 21' ' ' VAL . 42.2 t -129.26 147.82 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.863 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -133.23 114.07 13.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.76 117.47 23.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.8 p -129.65 151.6 50.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 108.328 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.622 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -114.59 124.05 50.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.047 HG22 HD13 ' A' ' 40' ' ' LEU . 79.4 t -63.33 104.11 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -80.12 -41.21 25.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -137.4 146.84 44.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.581 1.175 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.25 -128.56 11.72 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.533 1.146 . . . . 0.0 111.032 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.742 ' HA ' HG11 ' A' ' 35' ' ' VAL . 6.3 pt20 -161.1 164.68 30.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 0.727 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.047 HD13 HG22 ' A' ' 35' ' ' VAL . 4.8 mp -114.1 123.97 50.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.865 ' O ' HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -96.21 -179.99 4.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.13 -35.75 6.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.275 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -90.06 -43.85 10.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.578 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -41.02 157.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -84.56 166.72 16.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.56 ' CD1' ' HG ' ' A' ' 60' ' ' LEU . 91.0 m-85 -151.6 178.27 9.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.485 ' HE2' ' CE1' ' A' ' 99' ' ' TYR . 3.0 pttt -163.64 148.29 10.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.576 ' C ' HD12 ' A' ' 49' ' ' ILE . 35.7 tp -103.78 119.61 39.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.719 HD12 ' N ' ' A' ' 49' ' ' ILE . 2.0 mp -104.98 123.93 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 16.6 ttm180 -131.81 111.86 11.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 1.4 t-20 81.98 -1.22 1.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.63 -10.79 28.01 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.494 1.121 . . . . 0.0 110.934 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -104.14 147.87 26.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 0.79 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 t -83.31 140.81 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.504 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -114.32 -41.5 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.826 ' CG ' HD13 ' A' ' 83' ' ' LEU . 63.9 t90 -126.43 138.17 53.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.014 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.427 ' CD ' ' N ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -138.04 133.42 33.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 149.83 -140.89 8.37 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 p -124.22 149.22 46.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.762 . . . . 0.0 110.015 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.723 ' CD2' HD13 ' A' ' 81' ' ' LEU . 25.8 mt -69.17 154.8 41.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 82.7 p -91.86 -19.0 22.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.39 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.9 m -167.21 158.05 11.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.865 HD22 ' O ' ' A' ' 41' ' ' GLU . 15.4 tp -156.64 102.87 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -114.48 142.1 46.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.565 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.431 ' CG2' HD11 ' A' ' 73' ' ' ILE . 17.1 tt -88.32 163.15 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.4 t -114.93 -33.81 5.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.945 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.0 t -111.3 145.11 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.431 HD11 ' CG2' ' A' ' 70' ' ' ILE . 6.7 mm -129.22 113.51 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -70.2 173.75 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.8 m -72.1 131.41 42.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.7 2.12 63.3 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.9 mmm -101.55 134.56 44.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 0.782 . . . . 0.0 111.015 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -86.79 149.59 24.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 12.2 p -163.23 154.08 16.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 108.328 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -118.26 133.87 10.63 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.723 HD13 ' CD2' ' A' ' 60' ' ' LEU . 4.6 pp -125.58 160.68 28.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.6 m -145.3 134.55 22.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.826 HD13 ' CG ' ' A' ' 56' ' ' TRP . 6.0 mt -87.23 144.02 27.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -57.16 -20.56 27.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -95.24 131.72 40.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -90.01 -26.83 20.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.278 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.4 mtmm -53.91 -45.8 71.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.637 ' CG1' HD12 ' A' ' 83' ' ' LEU . 9.3 p -66.96 135.25 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -128.88 138.28 51.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.863 ' CD2' ' HB2' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -91.0 -176.02 4.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.977 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.527 ' CA ' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -174.07 158.37 2.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 18.2 Cg_endo -75.02 55.47 3.97 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.532 1.806 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.47 34.23 0.09 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -124.2 -178.95 4.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -130.94 151.47 51.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.4 t -127.97 99.31 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.411 HD12 ' CG ' ' A' ' 12' ' ' GLU . 20.5 mm -88.83 116.52 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.544 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 10.5 t -97.64 98.72 10.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 108.342 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.485 ' CE1' ' HE2' ' A' ' 47' ' ' LYS . 18.9 p90 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.36 128.86 38.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 0.768 . . . . 0.0 110.014 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.17 114.51 28.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.103 . . . . 0.0 109.992 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.96 125.36 0.82 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.416 1.072 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -82.86 171.12 14.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 110.003 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.6 t -75.95 109.39 9.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.77 -140.61 3.19 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -160.0 153.49 18.87 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.464 ' HB3' ' CG2' ' A' ' 97' ' ' ILE . 18.3 Cg_endo -75.04 131.68 14.52 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.503 1.791 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.3 mt -77.89 -44.34 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -165.31 143.62 8.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.545 ' CG ' HD12 ' A' ' 97' ' ' ILE . 1.4 mp0 -103.03 134.75 45.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.29 135.95 50.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 11.6 m -106.25 145.21 31.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.469 ' CG2' HG22 ' A' ' 18' ' ' THR . 37.3 mt -88.0 117.11 31.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.748 HD11 ' HB2' ' A' ' 34' ' ' ARG . 8.0 mt -90.32 -36.65 14.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.37 159.89 42.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.523 HG21 ' CA ' ' A' ' 91' ' ' LYS . 29.8 p -140.2 134.81 31.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 110.383 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.43 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 10.8 p90 -154.07 176.92 11.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.725 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.7 m -117.42 162.88 17.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.636 HG22 HG23 ' A' ' 30' ' ' VAL . 5.7 m -134.66 159.3 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.1 m -114.8 138.9 50.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.404 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -140.32 99.33 3.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.23 -48.16 3.98 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -174.67 -46.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.53 170.31 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -127.34 99.43 5.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.486 ' O ' HG22 ' A' ' 21' ' ' VAL . 3.4 mp -90.18 126.42 56.99 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.725 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.3 Cg_endo -75.02 145.62 31.58 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.548 1.815 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.636 HG23 HG22 ' A' ' 21' ' ' VAL . 47.5 t -130.65 150.55 34.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.432 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -129.2 117.22 20.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.61 119.94 30.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 14' ' ' SER . 5.2 p -132.37 146.64 52.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 108.288 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.748 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -109.55 116.81 32.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.0 t -55.42 113.81 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -89.42 -33.23 16.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.324 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -151.71 136.08 16.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.53 -153.05 36.45 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -146.42 172.32 13.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 110.338 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 72' ' ' VAL . 71.7 mt -117.11 124.54 49.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.1 122.42 46.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.475 ' HG2' HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -70.87 77.56 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.311 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -178.51 -51.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.653 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -57.11 -172.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.554 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 2.9 mmtp -100.83 163.37 12.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.554 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 7.0 m-85 -143.38 173.65 11.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.677 ' HD2' HD11 ' A' ' 49' ' ' ILE . 17.8 pttt -163.6 149.31 11.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.711 HD23 HG13 ' A' ' 55' ' ' ILE . 28.2 tp -104.1 119.6 39.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.707 HD12 ' N ' ' A' ' 49' ' ' ILE . 2.3 mp -105.86 117.78 52.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 9.4 ttm180 -124.46 111.87 16.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.26 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.471 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 22.6 t30 80.11 -0.83 2.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.46 -14.62 22.72 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.545 1.153 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -99.02 147.55 24.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 0.742 . . . . 0.0 110.272 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 t -86.42 138.19 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.711 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -111.21 -42.2 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.849 ' CG ' HD13 ' A' ' 83' ' ' LEU . 54.5 t90 -128.26 137.71 52.11 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.71 124.94 21.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.499 ' O ' ' CH2' ' A' ' 56' ' ' TRP . . . 151.64 -164.33 30.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -95.49 146.52 24.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.816 HD22 ' HB2' ' A' ' 81' ' ' LEU . 3.8 mt -65.28 171.22 3.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.406 HG21 ' HB2' ' A' ' 84' ' ' ASP . 27.0 p -106.69 -27.73 10.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 m -161.11 151.56 17.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 109.994 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.475 HD22 ' HG2' ' A' ' 42' ' ' ARG . 12.6 tp -147.44 136.81 22.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -144.88 149.65 35.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 42.2 t60 -112.79 50.33 0.88 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.615 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.461 ' CE1' ' HB2' ' A' ' 78' ' ' ASP . 5.6 m170 62.41 103.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.6 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 66' ' ' HIS . 24.9 ttmt 40.02 70.29 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 169.9 101.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.99 82.76 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.624 ' CG2' HD11 ' A' ' 73' ' ' ILE . 11.0 tt -91.74 170.67 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.4 m -115.58 -43.19 3.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.996 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 4.7 t -114.77 143.49 24.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.624 HD11 ' CG2' ' A' ' 70' ' ' ILE . 31.2 mm -118.22 111.94 36.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -72.03 -176.77 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.9 m -77.13 145.13 37.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.376 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.41 8.13 87.67 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.546 1.154 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -102.31 131.77 48.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.757 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.461 ' HB2' ' CE1' ' A' ' 66' ' ' HIS . 0.5 OUTLIER -92.61 132.15 37.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 21.1 p -145.32 157.66 44.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 108.281 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -123.49 125.58 5.95 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.816 ' HB2' HD22 ' A' ' 60' ' ' LEU . 4.6 pp -114.85 150.8 34.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 0.753 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.3 m -130.93 134.44 46.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.999 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.849 HD13 ' CG ' ' A' ' 56' ' ' TRP . 20.9 mt -89.47 151.19 22.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.406 ' HB2' HG21 ' A' ' 61' ' ' THR . 4.6 t70 -71.54 -30.03 65.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.95 73.31 10.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -38.83 -34.5 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -43.59 -48.54 7.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.82 HG21 ' HB2' ' A' ' 56' ' ' TRP . 87.4 t -59.59 140.89 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -127.72 147.29 50.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.453 ' HB3' HD13 ' A' ' 15' ' ' ILE . 0.9 OUTLIER -106.03 -175.42 2.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.523 ' CA ' HG21 ' A' ' 18' ' ' THR . 3.2 pttt -175.15 159.34 2.21 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 56.03 4.09 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.798 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -175.26 33.6 0.1 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.444 1.09 . . . . 0.0 111.04 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.476 ' OD1' ' CG ' ' A' ' 91' ' ' LYS . 13.0 m-20 -121.2 -171.82 2.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -143.44 148.14 35.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 17.2 t -126.09 98.35 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.545 HD12 ' CG ' ' A' ' 12' ' ' GLU . 11.7 mm -94.99 123.51 47.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.7 t -105.7 95.22 5.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 108.303 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -107.51 169.36 8.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -109.04 136.7 48.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -110.82 115.24 29.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -179.15 -66.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.38 -170.72 3.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.653 HG23 ' HD2' ' A' ' 105' ' ' PRO . 3.5 p -125.82 142.25 41.65 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.653 ' HD2' HG23 ' A' ' 104' ' ' VAL . 18.2 Cg_endo -75.02 -177.65 3.62 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.434 HG23 HG23 ' A' ' 108' ' ' THR . 0.8 OUTLIER -110.87 -30.02 7.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.341 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 57.81 103.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.434 HG23 HG23 ' A' ' 106' ' ' THR . 14.7 p -136.0 71.55 1.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.404 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 81.0 p -179.71 125.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.01 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -136.35 117.14 14.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -174.28 115.51 0.32 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 175.33 11.39 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.494 1.786 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 170.06 117.94 0.44 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.579 1.175 . . . . 0.0 110.992 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -133.01 164.3 27.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 0.732 . . . . 0.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.45 133.6 1.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.983 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 174.65 73.99 0.05 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.477 1.11 . . . . 0.0 111.029 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 172.84 15.58 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.37 145.25 33.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 68.9 m -148.15 161.72 40.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.985 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.535 1.147 . . . . 0.0 111.021 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.86 128.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.973 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.1 t -139.95 163.14 33.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 110.014 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.7 114.54 0.89 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.6 m -139.25 111.39 7.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.76 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -129.16 123.51 32.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.017 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.91 -173.37 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -112.2 155.7 43.12 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.475 0.75 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.39 12.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.472 1.775 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.6 mt -68.64 -44.31 82.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -170.62 149.12 12.14 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -103.41 152.88 21.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.551 ' HB2' HD21 ' A' ' 40' ' ' LEU . . . -141.06 137.68 33.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.412 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 23.0 m -107.53 147.66 30.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.021 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.634 HD13 ' HB3' ' A' ' 90' ' ' PHE . 57.8 mt -91.93 121.03 42.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.798 HD11 ' HB2' ' A' ' 34' ' ' ARG . 10.0 mt -94.44 -39.1 10.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.02 155.8 44.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.615 HG21 ' CA ' ' A' ' 91' ' ' LYS . 33.9 p -135.49 135.55 40.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.415 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.552 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 13.7 p90 -153.39 -177.39 6.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.711 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.6 m -124.26 162.94 22.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.408 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.659 HG22 HG23 ' A' ' 30' ' ' VAL . 6.0 m -133.63 159.17 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.9 m -114.52 139.41 49.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.376 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.411 ' HG3' HD13 ' A' ' 28' ' ' ILE . 3.1 mm-40 -139.94 99.35 3.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.78 -53.74 4.34 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -164.88 -46.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 0.794 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 168.74 3.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -130.0 107.27 9.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.562 HD12 ' H ' ' A' ' 28' ' ' ILE . 4.0 mp -90.94 129.34 44.5 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.711 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.3 Cg_endo -74.97 132.0 14.96 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.526 1.803 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.659 HG23 HG22 ' A' ' 21' ' ' VAL . 43.7 t -117.75 152.98 19.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.908 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -133.32 116.85 16.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.24 113.52 23.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 14' ' ' SER . 2.4 p -125.76 149.72 48.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 108.297 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.798 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -110.7 124.7 52.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.579 HG22 ' HG ' ' A' ' 40' ' ' LEU . 46.0 t -62.42 111.68 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.539 1.15 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -89.8 -32.42 16.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.8 pttt -148.22 150.19 33.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.9 -138.77 44.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.459 ' OE1' HG13 ' A' ' 72' ' ' VAL . 1.3 pt20 -148.65 173.62 13.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 0.794 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.579 ' HG ' HG22 ' A' ' 35' ' ' VAL . 71.8 mt -117.25 124.59 49.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.574 ' O ' HD22 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -88.98 178.75 6.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.12 -56.74 2.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -73.09 -36.88 66.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.643 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.516 ' CG ' ' CB ' ' A' ' 41' ' ' GLU . 38.4 mmtt -42.09 162.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.568 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -93.36 158.72 15.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.568 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 25.0 m-85 -148.17 177.71 9.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.489 ' HG3' HD11 ' A' ' 49' ' ' ILE . 21.5 pttt -162.46 154.24 18.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.643 HD23 HG13 ' A' ' 55' ' ' ILE . 18.1 tp -104.48 119.17 38.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.751 HD12 ' N ' ' A' ' 49' ' ' ILE . 2.1 mp -106.96 117.13 52.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.432 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 12.0 ttp85 -124.67 113.17 17.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 0.9 OUTLIER 77.19 6.7 3.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.31 -13.45 48.0 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.42 1.075 . . . . 0.0 110.969 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -97.87 150.98 20.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 0.808 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 t -93.06 129.2 43.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.643 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -103.09 -39.96 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.821 ' CE3' HD22 ' A' ' 83' ' ' LEU . 54.2 t90 -128.78 136.61 50.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 108.003 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.91 131.53 31.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 153.29 -143.13 9.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 p -119.48 148.62 43.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 0.784 . . . . 0.0 109.997 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.808 HD22 HD13 ' A' ' 81' ' ' LEU . 12.3 mt -70.44 154.01 42.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.9 p -96.83 -26.57 15.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 110.367 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.3 m -146.16 167.67 22.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.574 HD22 ' O ' ' A' ' 41' ' ' GLU . 8.5 tp -174.75 107.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -126.86 155.1 43.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.49 ' O ' ' CG ' ' A' ' 65' ' ' HIS . 1.2 t60 -100.56 77.6 1.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.607 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.1 t60 78.41 -59.17 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.596 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -162.0 53.17 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -159.41 128.1 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.14 82.39 2.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.708 HG21 HD11 ' A' ' 73' ' ' ILE . 6.5 tt -95.8 168.9 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.6 m -116.35 -36.05 4.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.974 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.459 HG13 ' OE1' ' A' ' 39' ' ' GLN . 2.9 t -119.87 135.67 59.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.708 HD11 HG21 ' A' ' 70' ' ' ILE . 14.5 mm -116.65 119.77 62.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -73.44 -177.57 2.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.7 m -78.91 145.85 33.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 75.67 3.35 72.49 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.7 mmm -96.3 130.91 43.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.68 143.56 27.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.449 ' SG ' HD12 ' A' ' 40' ' ' LEU . 23.4 p -159.19 158.24 32.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 108.352 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -123.99 130.09 7.47 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.808 HD13 HD22 ' A' ' 60' ' ' LEU . 4.6 pp -120.05 159.56 24.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.735 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 43.8 p -138.1 147.67 44.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.982 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.821 HD22 ' CE3' ' A' ' 56' ' ' TRP . 9.0 mt -99.42 148.31 24.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -59.11 -20.29 52.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -98.81 134.75 41.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.333 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -91.93 -29.92 16.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.54 -43.66 65.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.53 ' CG1' HD12 ' A' ' 83' ' ' LEU . 12.5 p -67.43 128.79 31.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -124.68 132.07 53.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.908 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 1.3 m-85 -83.03 168.35 17.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.615 ' CA ' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -153.13 157.81 32.92 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.354 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 55.17 3.85 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.77 34.07 0.08 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.442 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 0.1 OUTLIER -119.64 -168.81 1.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 109.295 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -142.72 153.76 43.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.8 t -134.76 99.95 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.62 ' N ' HD12 ' A' ' 97' ' ' ILE . 1.3 mp -87.06 120.12 35.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.439 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 12.2 t -100.55 100.16 10.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 108.306 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.4 p90 -126.77 174.01 9.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -119.99 144.91 47.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.338 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.58 83.64 6.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -179.09 163.74 1.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -134.58 120.47 19.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.8 m -130.9 154.47 81.97 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 107.0 2.38 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.494 1.786 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.0 t -150.39 146.8 26.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.357 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -123.96 116.86 23.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.346 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.3 t -120.75 152.47 38.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.142 . . . . 0.0 110.369 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 94.2 p -139.61 81.25 1.82 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.962 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -137.48 84.78 2.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 108.014 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.6 p-10 -61.06 141.09 93.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 113.17 3.73 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 178.98 65.55 0.07 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.13 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -122.16 117.97 27.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.7 m -145.55 102.72 3.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.985 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 170.84 68.77 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 156.36 43.02 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.528 1.804 . . . . 0.0 111.013 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.0 t -173.56 -59.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 17.8 p -169.58 132.78 1.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.962 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.422 1.076 . . . . 0.0 110.98 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.71 -59.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 0.743 . . . . 0.0 110.027 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.9 148.86 50.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.965 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.73 92.99 2.29 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.97 -56.77 3.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 0.784 . . . . 0.0 109.958 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.0 m -82.77 -59.53 2.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.025 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.88 -122.33 0.69 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.472 1.107 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -152.58 162.13 27.32 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 126.07 9.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.79 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.729 HD12 ' HA ' ' A' ' 99' ' ' TYR . 5.6 mt -70.76 -48.55 56.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -158.83 144.25 10.12 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -108.81 141.79 40.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 110.329 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.4 144.25 51.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 1.3 m -114.75 139.62 49.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.027 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.588 HD13 ' HB3' ' A' ' 90' ' ' PHE . 51.9 mt -86.05 120.48 36.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.592 HD11 ' HB2' ' A' ' 34' ' ' ARG . 13.2 mt -95.68 -35.32 11.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -145.09 160.38 41.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.451 HG22 ' CG2' ' A' ' 15' ' ' ILE . 29.9 p -145.69 136.75 24.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.374 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.505 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 9.1 p90 -153.96 -178.94 7.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.2 m -118.55 163.65 16.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.44 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.663 HG22 ' O ' ' A' ' 28' ' ' ILE . 7.5 m -135.36 158.67 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 2.4 m -122.6 125.47 45.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.345 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.536 ' HG2' HD13 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -151.67 98.97 2.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.89 54.73 3.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? 51.64 26.89 3.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 109.257 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 22' ' ' THR . 15.1 mtpt -114.76 163.25 15.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.47 92.31 3.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.663 ' O ' HG22 ' A' ' 21' ' ' VAL . 3.6 mp -95.69 118.98 65.77 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 117.74 5.03 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 111.005 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.526 HG23 HG22 ' A' ' 21' ' ' VAL . 78.1 t -100.6 157.41 4.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.632 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -138.66 118.33 13.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.07 122.76 35.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 14' ' ' SER . 5.5 p -133.4 156.9 46.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 108.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.592 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -115.21 121.15 42.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.596 HG21 HG22 ' A' ' 73' ' ' ILE . 23.8 t -54.21 117.75 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -95.36 -30.27 14.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt -155.22 143.07 19.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.66 -149.05 51.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.475 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 8.1 pt20 -143.29 175.82 9.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 67.7 mt -117.46 124.4 48.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' HIS . 33.4 mt-10 -107.57 118.1 35.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.448 ' CG ' ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -64.63 75.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.338 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' GLU . 2.0 t60 179.03 -47.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.575 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -53.59 -179.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 46' ' ' PHE . 2.7 tttt -98.35 140.34 32.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.438 ' CD2' HD11 ' A' ' 60' ' ' LEU . 12.0 m-85 -124.41 169.88 11.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -163.61 150.13 11.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.749 HD23 HG13 ' A' ' 55' ' ' ILE . 27.2 tp -104.12 120.34 40.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.744 HD12 ' N ' ' A' ' 49' ' ' ILE . 2.0 mp -107.19 115.79 49.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.472 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 7.7 ttm180 -124.0 112.86 17.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 9.8 t-20 79.88 -0.06 2.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.4 -14.79 25.22 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.544 1.152 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -98.59 148.06 24.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 0.765 . . . . 0.0 110.313 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.522 HG22 HG13 ' A' ' 49' ' ' ILE . 24.3 t -88.96 131.45 36.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.749 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -103.96 -39.71 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.905 ' CG ' HD13 ' A' ' 83' ' ' LEU . 63.8 t90 -131.03 135.03 47.22 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.84 115.0 10.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.456 ' O ' ' CH2' ' A' ' 56' ' ' TRP . . . 165.73 -164.55 37.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.0 m -95.84 152.72 18.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 110.015 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.664 ' CD2' HD13 ' A' ' 81' ' ' LEU . 11.3 mt -75.03 158.25 33.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.357 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 58.0 p -97.53 -25.57 15.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.402 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.77 154.87 26.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.975 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.448 ' HB3' ' CG ' ' A' ' 42' ' ' ARG . 9.9 tp -154.78 126.91 7.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -139.7 152.28 46.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.585 ' CD2' ' O ' ' A' ' 78' ' ' ASP . 43.7 t-80 -100.86 67.05 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.593 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 79.88 -60.3 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.562 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.5 76.29 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 171.68 126.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.17 82.78 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.656 HG21 HD11 ' A' ' 73' ' ' ILE . 10.8 tt -94.36 171.15 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.9 t -118.24 -41.47 2.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.6 t -111.55 145.13 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.656 HD11 HG21 ' A' ' 70' ' ' ILE . 15.4 mm -127.56 119.72 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -82.56 179.94 7.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 33.3 m -74.87 147.14 41.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.98 -2.11 76.52 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.115 . . . . 0.0 110.967 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 84.6 mtp -100.22 127.93 46.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.585 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 5.6 m-20 -84.79 146.1 27.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.411 ' SG ' HG21 ' A' ' 73' ' ' ILE . 10.1 p -155.24 154.79 32.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 108.291 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -121.68 133.78 9.63 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.531 1.145 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.664 HD13 ' CD2' ' A' ' 60' ' ' LEU . 4.2 pp -126.0 148.24 49.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.776 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.436 ' OG ' HG22 ' A' ' 30' ' ' VAL . 3.7 m -129.02 135.34 48.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.905 HD13 ' CG ' ' A' ' 56' ' ' TRP . 24.6 mt -87.37 153.25 21.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.07 -28.2 64.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.44 85.09 5.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -49.0 -24.67 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.01 -45.58 64.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.716 HG11 ' HB2' ' A' ' 56' ' ' TRP . 61.9 t -67.43 126.83 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -118.12 130.58 56.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.27 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.632 ' CD2' ' HB2' ' A' ' 31' ' ' ALA . 2.4 m-85 -79.56 -164.5 0.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.44 ' N ' HG21 ' A' ' 18' ' ' THR . 0.8 OUTLIER 178.24 154.19 0.5 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 54.88 3.79 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.36 33.86 0.09 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -120.68 -170.81 2.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 0.77 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -142.74 150.31 39.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.4 t -130.35 98.3 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.562 ' N ' HD12 ' A' ' 97' ' ' ILE . 1.5 mp -88.84 117.75 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 8.5 t -97.81 101.94 13.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.251 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.729 ' HA ' HD12 ' A' ' 10' ' ' ILE . 3.0 p90 -143.09 176.2 9.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -122.97 133.16 54.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.555 ' HG3' ' CE2' ' A' ' 99' ' ' TYR . 3.4 mt-10 -94.2 87.26 5.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -151.69 126.56 9.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -75.14 118.84 18.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.565 HG23 ' HD2' ' A' ' 105' ' ' PRO . 2.6 p -147.63 139.51 13.94 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.565 ' HD2' HG23 ' A' ' 104' ' ' VAL . 18.2 Cg_endo -75.05 135.98 19.69 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.47 1.774 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.7 t -167.45 152.74 7.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.368 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.45 102.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.7 m -156.91 137.45 13.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.376 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.7 t -80.2 -55.58 4.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.989 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 69.85 162.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -133.6 145.82 57.87 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 117.02 4.76 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.507 1.793 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -173.15 104.37 0.2 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.105 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -157.31 140.71 15.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 0.781 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.55 111.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -128.37 -145.27 6.0 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.112 . . . . 0.0 111.031 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 178.46 7.21 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.04 -61.2 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.996 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 38.1 t -136.36 134.84 38.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.1 m 60.97 86.46 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 0.749 . . . . 0.0 110.014 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.05 168.04 10.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.989 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.47 -124.83 0.73 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.1 p -92.56 124.64 36.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 110.019 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 p -168.7 125.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.75 -92.77 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 8' ' ' TYR . 10.6 p90 -156.01 156.84 30.93 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 111.048 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 127.48 10.69 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.447 1.762 . . . . 0.0 110.956 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 99' ' ' TYR . 5.9 mt -72.3 -45.31 61.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -168.46 140.53 6.24 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.493 1.121 . . . . 0.0 111.056 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -100.66 147.52 25.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 110.255 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -133.07 144.84 50.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -115.57 134.93 54.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.955 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.529 HD13 ' HB3' ' A' ' 90' ' ' PHE . 54.7 mt -82.64 125.12 39.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.5 mt -102.02 -36.67 8.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.78 148.76 41.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.748 HG21 ' CA ' ' A' ' 91' ' ' LYS . 69.4 p -133.85 134.55 42.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.396 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.456 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 10.3 p90 -155.08 177.55 11.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.958 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.583 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.7 m -119.03 162.88 17.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.597 HG22 HG23 ' A' ' 30' ' ' VAL . 6.9 m -134.91 157.91 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 55.8 m -114.74 141.52 47.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -143.91 99.34 3.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 110.318 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.37 -49.13 4.09 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -170.23 -54.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.76 170.47 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -128.78 108.44 10.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.568 ' O ' HG22 ' A' ' 21' ' ' VAL . 4.2 mp -89.62 126.35 58.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.583 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.2 Cg_endo -75.03 128.75 11.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.597 HG23 HG22 ' A' ' 21' ' ' VAL . 50.6 t -116.52 150.51 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.808 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -132.69 126.11 31.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.89 121.22 41.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 14' ' ' SER . 12.5 p -135.63 152.6 51.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 108.283 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -108.9 118.66 37.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.449 HG21 HG22 ' A' ' 73' ' ' ILE . 77.2 t -53.06 110.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.37 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -83.19 -39.79 20.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.7 pttp -147.2 142.24 27.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.98 -151.18 42.09 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.633 ' OE1' HG13 ' A' ' 72' ' ' VAL . 2.0 pt20 -140.96 175.97 9.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 0.0 110.299 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 63.8 mt -117.31 125.04 50.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -110.5 127.71 55.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.304 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.98 67.88 1.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -178.68 -49.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.544 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -49.23 176.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.509 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 1.3 mttt -93.7 150.58 20.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 98' ' ' CYS . 11.1 m-85 -142.26 170.83 14.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.555 ' HE3' ' CE1' ' A' ' 99' ' ' TYR . 4.8 ptpt -161.75 152.93 18.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.619 ' C ' HD12 ' A' ' 49' ' ' ILE . 32.1 tp -104.27 120.67 41.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.764 HD12 ' N ' ' A' ' 49' ' ' ILE . 2.1 mp -108.61 114.88 47.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.57 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 8.8 ttm180 -123.69 111.13 15.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.57 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 13.0 t-20 88.47 -24.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 136.42 -13.62 4.0 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -101.65 149.24 24.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 0.742 . . . . 0.0 110.309 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.467 HG21 ' HD3' ' A' ' 47' ' ' LYS . 5.8 t -87.33 133.32 30.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.43 ' N ' HD13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -108.33 -42.01 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.929 ' CE3' HD22 ' A' ' 83' ' ' LEU . 82.0 t90 -124.59 135.8 53.43 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.06 118.83 14.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 159.16 -167.95 35.05 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 m -91.79 152.41 20.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 0.798 . . . . 0.0 109.991 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.583 HD22 ' HB2' ' A' ' 81' ' ' LEU . 4.8 mt -73.16 164.85 26.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.469 HG22 ' OD1' ' A' ' 84' ' ' ASP . 3.1 p -103.35 -29.11 11.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 110.389 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 m -154.85 157.72 38.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.1 tp -160.35 115.23 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -124.99 164.89 19.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.431 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 6.4 t60 -105.42 59.31 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.612 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 76.14 -66.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.541 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -140.49 65.6 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 t0 175.41 115.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.61 83.79 0.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.62 HG21 HD11 ' A' ' 73' ' ' ILE . 6.7 tt -95.28 170.98 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.8 m -115.23 -40.83 3.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.633 HG13 ' OE1' ' A' ' 39' ' ' GLN . 20.9 t -110.66 147.57 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.62 HD11 HG21 ' A' ' 70' ' ' ILE . 17.0 mm -131.93 110.52 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -63.28 -172.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.2 m -81.15 160.82 24.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.414 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 56.37 19.47 25.76 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.0 mmm -103.66 138.15 40.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 0.774 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.88 132.48 39.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.419 ' SG ' HG21 ' A' ' 73' ' ' ILE . 22.0 p -153.05 160.75 42.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 108.345 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -117.16 136.23 12.49 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.583 ' HB2' HD22 ' A' ' 60' ' ' LEU . 4.1 pp -131.49 161.79 31.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 40.9 t -143.56 153.17 42.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.929 HD22 ' CE3' ' A' ' 56' ' ' TRP . 9.6 mt -102.77 143.66 32.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.469 ' OD1' HG22 ' A' ' 61' ' ' THR . 6.4 m-20 -49.27 -29.38 5.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -90.19 134.2 34.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.413 ' OE1' ' N ' ' A' ' 86' ' ' GLU . 6.8 pm0 -91.07 -31.35 16.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -45.39 62.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.428 HG21 ' HB2' ' A' ' 56' ' ' TRP . 8.0 p -64.36 125.54 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -121.4 130.11 53.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.808 ' CD2' ' HB2' ' A' ' 31' ' ' ALA . 2.2 m-85 -79.78 -172.61 3.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.998 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.748 ' CA ' HG21 ' A' ' 18' ' ' THR . 2.0 pttt -174.73 158.09 2.32 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 57.18 4.51 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.526 1.803 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.75 34.14 0.08 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.503 ' OD1' ' CG ' ' A' ' 91' ' ' LYS . 12.4 m-20 -125.15 -173.59 2.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -140.83 152.49 45.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.344 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.9 t -131.58 98.35 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.562 ' N ' HD12 ' A' ' 97' ' ' ILE . 1.5 mp -88.19 117.9 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.571 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 13.9 t -97.27 97.9 9.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 108.289 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.555 ' CE1' ' HE3' ' A' ' 47' ' ' LYS . 3.5 p90 -139.9 175.35 9.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.96 165.01 13.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -88.31 -59.77 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.25 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 177.79 120.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.473 ' C ' HG23 ' A' ' 104' ' ' VAL . 0.0 OUTLIER -163.46 64.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.568 HG12 ' HD2' ' A' ' 105' ' ' PRO . 2.3 t 67.5 141.84 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.568 ' HD2' HG12 ' A' ' 104' ' ' VAL . 18.4 Cg_endo -74.99 144.58 30.45 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.8 p -108.81 75.63 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.371 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -164.07 129.32 2.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.502 HG23 ' H ' ' A' ' 109' ' ' SER . 0.2 OUTLIER -156.82 -56.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.43 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.502 ' H ' HG23 ' A' ' 108' ' ' THR . 0.2 OUTLIER -162.32 162.48 27.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.42 ' O ' ' CB ' ' A' ' 111' ' ' ASP . 4.0 t-105 -172.57 116.17 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 107.979 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.509 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 0.0 OUTLIER 161.98 -51.72 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 111' ' ' ASP . 18.2 Cg_endo -75.03 150.19 37.65 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.513 1.796 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 148.27 82.77 0.04 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.522 1.138 . . . . 0.0 110.971 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -134.47 158.21 44.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 0.73 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.43 138.85 40.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.984 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -118.1 85.43 0.39 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 111.053 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 160.67 40.01 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.7 t -137.81 137.74 38.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 109.945 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.35 102.97 11.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.005 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.546 1.154 . . . . 0.0 111.017 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.942 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -159.35 149.67 19.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 0.744 . . . . 0.0 109.979 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -94.91 121.99 37.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.0 -133.52 1.68 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 m 60.23 168.12 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 0.769 . . . . 0.0 110.027 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.45 123.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.003 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.5 98.96 0.33 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.497 1.123 . . . . 0.0 111.041 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -67.58 151.36 97.23 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.454 0.737 . . . . 0.0 110.966 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 129.86 12.75 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.448 1.762 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.67 HG21 ' OE2' ' A' ' 41' ' ' GLU . 7.1 mt -73.1 -41.54 59.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 179.56 139.89 3.88 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.441 ' HG3' HD13 ' A' ' 97' ' ' ILE . 1.6 tt0 -100.65 129.27 46.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.76 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.58 147.36 36.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.64 135.42 54.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.065 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.492 HD13 ' HB3' ' A' ' 90' ' ' PHE . 44.9 mt -80.05 120.0 30.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.519 HD11 ' HB2' ' A' ' 34' ' ' ARG . 31.0 mt -93.2 -38.98 11.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.01 155.24 43.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.477 HG22 HG21 ' A' ' 15' ' ' ILE . 30.9 p -135.84 135.59 39.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.364 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.572 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 12.0 p90 -154.84 -177.15 6.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.704 HG23 ' HA ' ' A' ' 29' ' ' PRO . 3.2 m -123.92 162.5 23.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.362 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' ' 28' ' ' ILE . 6.6 m -131.99 156.21 42.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.1 m -111.05 131.85 54.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.418 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 28' ' ' ILE . 6.5 mm-40 -143.26 98.3 3.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.321 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.455 ' O ' ' HB2' ' A' ' 25' ' ' LYS . . . 64.49 61.71 5.72 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 24' ' ' GLY . 7.0 mttm 75.51 -55.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 0.794 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.56 160.83 1.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 pttt -132.62 107.28 8.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.612 ' O ' HG22 ' A' ' 21' ' ' VAL . 4.2 mp -95.11 131.11 30.76 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.704 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.4 Cg_endo -75.0 146.41 32.6 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.525 1.802 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.572 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 24.1 t -131.11 153.46 39.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.57 115.31 13.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.11 112.42 21.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.6 p -123.79 148.38 46.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 108.297 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.519 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -112.34 122.29 47.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.496 HG22 ' HG ' ' A' ' 40' ' ' LEU . 73.8 t -60.23 113.74 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -89.51 -43.55 10.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.62 135.59 38.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.83 -142.76 30.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.462 ' OE1' HG13 ' A' ' 72' ' ' VAL . 3.1 pt20 -150.13 176.84 10.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.496 ' HG ' HG22 ' A' ' 35' ' ' VAL . 72.3 mt -117.28 124.81 49.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.67 ' OE2' HG21 ' A' ' 10' ' ' ILE . 30.1 mt-10 -115.8 121.51 42.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.439 ' CD ' ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -56.43 160.99 2.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.277 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.436 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 0.8 OUTLIER 83.7 -51.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.603 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -43.57 165.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.447 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -88.94 142.03 27.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 98' ' ' CYS . 7.8 m-85 -137.25 172.77 12.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.938 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.71 ' HD2' HD11 ' A' ' 49' ' ' ILE . 0.6 OUTLIER -160.52 152.08 19.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.684 HD23 HG13 ' A' ' 55' ' ' ILE . 26.8 tp -104.4 116.69 32.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.71 HD11 ' HD2' ' A' ' 47' ' ' LYS . 2.4 mp -105.55 115.28 47.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.492 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 10.4 ttm180 -124.28 112.83 17.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 7.8 t-20 81.56 -0.49 1.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.85 -13.71 29.38 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.455 1.097 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -99.0 147.98 24.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.784 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 t -87.16 138.48 18.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.684 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -113.47 -41.94 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.355 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.957 ' CG ' HD13 ' A' ' 83' ' ' LEU . 57.8 t90 -129.63 136.03 49.26 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.17 118.5 14.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.512 ' O ' ' CH2' ' A' ' 56' ' ' TRP . . . 160.98 -166.89 35.79 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 p -94.0 152.49 18.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 110.023 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.629 HD22 HD13 ' A' ' 81' ' ' LEU . 6.5 mt -78.23 147.24 34.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.425 ' C ' ' HG ' ' A' ' 62' ' ' SER . 10.8 p -82.12 -23.09 35.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.438 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.425 ' HG ' ' C ' ' A' ' 61' ' ' THR . 2.2 m -165.03 154.83 13.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.439 ' HB3' ' CD ' ' A' ' 42' ' ' ARG . 2.3 tp -158.76 120.99 3.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -123.81 165.91 16.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.436 ' ND1' ' C ' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -95.1 -50.9 4.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.599 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -160.16 -49.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.633 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -157.24 54.03 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.158 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -174.79 154.24 1.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.32 81.26 6.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.8 tt -96.18 139.04 19.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.697 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.8 OUTLIER -103.14 27.94 6.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 71' ' ' SER . 12.6 t -159.81 143.87 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.432 HG21 ' SG ' ' A' ' 79' ' ' CYS . 20.8 mm -141.28 103.1 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.2 mttt -65.51 179.85 0.74 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 73.7 m -74.96 139.28 42.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.467 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.41 ' HA2' ' NE ' ' A' ' 34' ' ' ARG . . . 87.85 -10.23 71.09 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.9 mmm -86.54 126.66 34.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 0.771 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -83.95 143.11 30.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.432 ' SG ' HG21 ' A' ' 73' ' ' ILE . 25.5 p -156.27 159.39 38.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 108.324 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -126.77 145.14 15.56 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.629 HD13 HD22 ' A' ' 60' ' ' LEU . 4.4 pp -134.45 158.0 45.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.3 p -141.25 139.55 33.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.012 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.957 HD13 ' CG ' ' A' ' 56' ' ' TRP . 6.2 mt -96.67 155.98 16.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -70.66 -25.59 63.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -92.48 81.0 4.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.9 pm0 -48.78 -23.45 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.95 -46.32 68.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.791 HG21 ' HB2' ' A' ' 56' ' ' TRP . 89.5 t -62.35 128.7 24.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -114.77 149.15 37.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.275 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.492 ' HB3' HD13 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -109.72 168.01 9.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.423 ' CA ' HG21 ' A' ' 18' ' ' THR . 0.1 OUTLIER -153.03 157.89 32.95 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 54.86 3.76 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.783 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.91 33.9 0.08 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -116.6 -172.4 2.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 0.784 . . . . 0.0 109.267 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' ILE . 15.7 mt-30 -138.6 146.76 42.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.7 t -127.17 98.26 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.441 HD13 ' HG3' ' A' ' 12' ' ' GLU . 4.7 mm -87.2 132.07 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.571 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 14.4 t -119.15 104.41 10.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 108.32 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 9.9 p90 -136.03 171.48 14.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.85 157.86 18.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.17 82.72 1.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -177.65 135.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -112.03 101.29 9.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 22.8 m -78.64 154.39 78.58 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 88.34 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.8 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.5 p -134.06 113.52 12.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.398 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.6 tttt 57.04 78.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.247 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.647 HG23 ' O ' ' A' ' 108' ' ' THR . 15.2 t -86.04 55.84 3.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.426 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.44 119.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 109.974 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 16.5 m95 56.53 96.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 107.981 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -70.24 137.93 86.81 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 109.249 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 56.47 4.28 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.412 1.743 . . . . 0.0 111.009 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -175.16 73.26 0.08 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.536 1.147 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -98.86 -53.54 3.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.751 . . . . 0.0 111.051 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 28.3 t -137.33 144.67 42.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.949 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -52.46 107.24 0.47 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.532 1.145 . . . . 0.0 111.043 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.26 33.71 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 52.2 p -147.42 155.26 41.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.04 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 41.2 p -80.67 125.26 29.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -152.68 120.61 6.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.781 . . . . 0.0 109.983 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -84.21 131.03 34.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.54 -135.41 8.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.447 1.092 . . . . 0.0 110.955 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 p 46.92 91.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 0.752 . . . . 0.0 110.023 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.8 t -79.64 129.44 34.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.67 -169.65 37.18 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -140.71 156.43 69.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.747 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.48 9.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.447 1.762 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.802 HD12 ' HA ' ' A' ' 99' ' ' TYR . 1.6 mp -69.06 -35.54 69.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -176.88 150.95 10.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.538 1.149 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -118.94 150.13 40.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -140.05 130.55 25.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.7 m -98.63 146.95 25.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.553 HD13 ' HB3' ' A' ' 90' ' ' PHE . 58.4 mt -90.46 122.6 42.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.702 HD11 ' HB2' ' A' ' 34' ' ' ARG . 9.2 mt -97.32 -39.2 9.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.2 153.33 45.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.657 HG21 ' CA ' ' A' ' 91' ' ' LYS . 51.6 p -136.21 135.75 39.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.452 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.554 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 12.4 p90 -156.39 -177.59 6.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.78 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.7 m -124.2 162.81 22.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.651 HG22 HG23 ' A' ' 30' ' ' VAL . 6.0 m -132.88 159.1 43.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.2 m -111.37 133.99 53.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 110.378 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.418 ' HB2' HD13 ' A' ' 28' ' ' ILE . 2.8 mt-10 -144.3 99.12 3.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.469 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . 63.17 48.58 78.53 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.433 1.083 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER 85.69 -50.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 0.761 . . . . 0.0 109.244 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 163.09 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.8 mtmm -132.11 102.79 5.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.784 HD12 ' N ' ' A' ' 28' ' ' ILE . 2.6 mp -94.94 123.17 58.4 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.78 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.4 Cg_endo -74.95 130.17 13.08 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.651 HG23 HG22 ' A' ' 21' ' ' VAL . 52.9 t -113.66 157.64 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.781 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -137.68 115.7 11.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.9 115.5 23.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.2 p -128.1 144.74 51.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 108.295 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.702 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -107.18 119.74 40.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.536 HG21 HG22 ' A' ' 73' ' ' ILE . 96.2 t -56.87 123.86 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -103.84 -35.14 8.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.09 145.39 30.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.94 -145.81 45.51 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -147.38 175.97 10.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 0.764 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.2 mt -117.53 124.87 49.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -112.66 137.8 50.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.42 70.44 8.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.268 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.5 t-160 -179.55 -49.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.616 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.408 ' HD2' HD13 ' A' ' 10' ' ' ILE . 20.9 mmtm -50.18 178.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.583 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -96.57 158.79 15.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.244 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.583 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 21.2 m-85 -148.28 169.72 19.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 111.048 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.476 ' HD2' HD11 ' A' ' 49' ' ' ILE . 12.1 pttt -162.62 150.18 13.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.723 HD23 HG13 ' A' ' 55' ' ' ILE . 28.4 tp -104.33 119.43 38.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.761 HD12 ' N ' ' A' ' 49' ' ' ILE . 1.8 mp -107.37 113.64 44.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.452 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 3.7 ttm180 -121.28 114.07 20.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 29.1 t30 77.99 1.14 2.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.07 -14.9 28.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.13 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -96.75 149.26 22.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.784 . . . . 0.0 110.321 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 t -91.01 131.32 38.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.723 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -105.6 -41.74 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 109.263 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.775 ' CG ' HD13 ' A' ' 83' ' ' LEU . 71.4 t90 -130.01 135.23 48.05 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -137.75 115.13 11.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.3 -163.09 36.32 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 m -95.92 147.49 23.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 0.793 . . . . 0.0 110.005 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.61 HD22 HD13 ' A' ' 81' ' ' LEU . 22.2 mt -69.15 114.44 7.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.56 -13.72 23.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.412 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 m -167.14 153.65 8.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.024 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.1 tp -155.65 126.64 7.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -138.57 147.81 43.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.479 ' O ' ' CB ' ' A' ' 66' ' ' HIS . 64.0 t60 -85.32 52.84 2.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.579 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.479 ' CB ' ' O ' ' A' ' 65' ' ' HIS . 2.6 t-160 86.5 -47.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.612 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -166.98 54.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -163.56 125.31 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -75.02 79.58 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.808 HG21 HD11 ' A' ' 73' ' ' ILE . 7.5 tt -90.36 170.52 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 60.2 p -115.76 -35.58 4.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.7 t -132.12 140.21 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.346 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.808 HD11 HG21 ' A' ' 70' ' ' ILE . 20.3 mm -116.91 127.5 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -85.08 179.41 7.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 59.2 m -76.7 152.53 35.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.396 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 73.59 8.65 76.96 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.471 1.107 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.3 mmm -105.18 133.19 50.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.453 ' O ' ' ND1' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -92.95 124.44 36.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 26.3 p -137.1 160.34 39.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 108.319 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -121.15 126.18 6.47 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.61 HD13 HD22 ' A' ' 60' ' ' LEU . 4.4 pp -118.18 135.86 53.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 0.791 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.0 p -116.4 140.19 49.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.775 HD13 ' CG ' ' A' ' 56' ' ' TRP . 33.2 mt -93.04 147.65 22.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -64.35 -26.77 68.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 87' ' ' LYS . 0.5 OUTLIER -95.54 76.11 3.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -41.23 -28.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 85' ' ' GLU . 20.1 mttt -47.83 -47.83 31.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.731 HG11 ' HB2' ' A' ' 56' ' ' TRP . 61.2 t -65.44 125.42 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -115.89 136.61 52.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.781 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 1.1 m-85 -87.7 -172.47 3.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.062 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.657 ' CA ' HG21 ' A' ' 18' ' ' THR . 0.2 OUTLIER -172.84 155.56 3.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 55.82 4.1 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -175.56 33.85 0.09 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -122.49 -168.69 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -144.24 155.78 44.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 28.0 t -134.47 98.5 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.587 ' N ' HD12 ' A' ' 97' ' ' ILE . 1.2 mp -87.12 115.23 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 7.4 t -96.77 101.97 13.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 108.32 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.802 ' HA ' HD12 ' A' ' 10' ' ' ILE . 2.8 p90 -144.56 176.12 9.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.463 ' HG2' HD11 ' A' ' 10' ' ' ILE . 18.0 pt-20 -127.15 144.04 51.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -94.32 99.33 11.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -153.33 129.24 10.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -110.15 118.0 35.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.2 m -124.22 155.04 68.68 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 66.83 6.01 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.506 1.793 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.5 t -86.24 146.66 26.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.373 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.32 76.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.4 m -144.95 146.01 31.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.394 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 96.0 p -91.69 101.63 14.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.986 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 28.4 m95 -72.97 144.51 47.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 108.058 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -48.32 143.93 6.75 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.241 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 69.24 5.58 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.788 . . . . 0.0 111.042 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -156.08 97.25 0.16 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -56.01 130.76 45.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.9 m -107.42 165.91 11.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.044 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 163.18 -147.12 12.57 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 154.37 42.31 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 111.039 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.53 167.49 28.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.995 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.6 m -131.82 -58.63 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -64.91 120.94 13.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 0.777 . . . . 0.0 109.981 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -156.53 159.22 38.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.984 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.93 -73.56 0.38 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.23 86.47 5.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 109.986 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.75 150.25 21.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.984 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.71 -166.83 27.95 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.574 1.171 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 8' ' ' TYR . 8.6 p90 -103.66 154.67 37.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 134.29 17.73 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.542 HD11 ' HB2' ' A' ' 100' ' ' GLU . 45.3 mt -73.66 -43.58 54.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.47 142.02 5.28 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -101.77 140.51 35.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.758 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.25 133.22 43.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 33' ' ' CYS . 67.7 m -99.59 154.74 18.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.548 HD13 ' HB3' ' A' ' 90' ' ' PHE . 73.5 mt -96.66 127.4 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.646 HD11 ' HB2' ' A' ' 34' ' ' ARG . 17.6 mt -101.51 -37.4 8.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -145.5 153.69 41.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.58 HG21 ' CA ' ' A' ' 91' ' ' LYS . 30.4 p -135.14 135.56 41.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.428 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.571 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 9.8 p90 -154.16 -177.31 6.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.67 HG23 ' HA ' ' A' ' 29' ' ' PRO . 2.1 m -123.16 162.64 22.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.619 HG22 ' O ' ' A' ' 28' ' ' ILE . 6.2 m -131.53 156.83 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.3 m -108.56 132.43 53.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.358 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 28' ' ' ILE . 1.6 mt-10 -143.67 98.92 3.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . 62.57 51.37 56.57 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.2 OUTLIER 84.97 -52.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.33 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.46 161.24 0.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -131.99 99.01 4.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.619 ' O ' HG22 ' A' ' 21' ' ' VAL . 5.0 mp -89.83 128.48 50.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.67 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.3 Cg_endo -75.02 139.28 24.03 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.473 1.775 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.571 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 38.8 t -125.14 145.33 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.653 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -122.76 120.38 33.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -90.55 114.94 27.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 14' ' ' SER . 1.9 p -127.2 146.97 50.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 108.305 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.646 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -108.23 120.94 43.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.449 HG21 HG22 ' A' ' 73' ' ' ILE . 25.0 t -58.54 131.29 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -113.96 -37.55 4.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -145.57 130.82 18.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.29 -145.01 19.49 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -150.19 166.85 28.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 110.301 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.68 HD22 ' SG ' ' A' ' 98' ' ' CYS . 53.1 mt -117.23 124.66 49.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.473 ' HB2' ' CG ' ' A' ' 44' ' ' LYS . 6.3 mt-10 -108.93 179.01 4.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.69 -31.92 9.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.04 47.65 1.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.56 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.473 ' CG ' ' HB2' ' A' ' 41' ' ' GLU . 21.1 mmtm -136.93 168.19 20.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.55 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 11.0 mptt -95.3 153.83 17.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.557 ' CD2' ' SG ' ' A' ' 98' ' ' CYS . 19.8 m-85 -146.28 173.99 11.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.66 153.38 17.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.664 ' C ' HD12 ' A' ' 49' ' ' ILE . 40.8 tp -104.35 120.93 42.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.748 HD12 ' N ' ' A' ' 49' ' ' ILE . 2.1 mp -111.07 116.53 52.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.506 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 30.6 ttm180 -122.78 110.97 16.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 8.6 t-20 82.36 -6.69 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.358 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.43 -15.12 10.76 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -96.42 148.14 23.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 110.335 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.446 HG22 HG13 ' A' ' 49' ' ' ILE . 8.4 t -89.55 136.15 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.583 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -110.47 -43.48 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.846 ' CG ' HD13 ' A' ' 83' ' ' LEU . 46.6 t90 -127.13 135.66 51.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 108.05 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.94 113.74 9.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 176.39 -142.98 6.21 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.102 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 p -120.58 155.06 34.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.74 . . . . 0.0 109.967 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.451 HD13 ' HB2' ' A' ' 81' ' ' LEU . 27.7 mt -77.88 136.21 38.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 13.4 p -77.47 -16.65 58.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.408 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.5 m -168.9 153.62 5.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.989 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 tp -152.85 116.01 4.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.085 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -129.55 157.07 43.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.688 ' HB2' HD11 ' A' ' 73' ' ' ILE . 4.3 t60 -88.04 62.42 6.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.61 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.406 ' CB ' ' O ' ' A' ' 65' ' ' HIS . 5.8 t-80 80.54 -53.75 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.644 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -159.04 62.85 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -173.12 138.68 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.69 86.31 3.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 1.038 HG21 HD11 ' A' ' 73' ' ' ILE . 0.6 OUTLIER -100.55 146.49 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 61.8 p -101.79 -26.72 13.37 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.468 1.105 . . . . 0.0 110.026 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.6 t -139.93 134.2 36.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 1.038 HD11 HG21 ' A' ' 70' ' ' ILE . 12.7 mm -114.55 128.07 71.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -83.42 175.55 9.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.359 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.9 m -73.3 142.19 47.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 110.363 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.78 -4.68 85.5 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.2 mmm -96.1 131.06 42.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -83.48 145.8 28.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.41 ' SG ' HD12 ' A' ' 40' ' ' LEU . 23.0 p -161.56 158.3 26.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 108.313 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -119.92 134.93 10.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.512 ' O ' HD12 ' A' ' 81' ' ' LEU . 4.2 pp -126.1 148.1 49.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.9 p -129.11 141.3 51.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.984 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.846 HD13 ' CG ' ' A' ' 56' ' ' TRP . 39.1 mt -87.98 167.76 13.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -92.79 25.95 2.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -150.6 91.55 1.75 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.266 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -52.78 -21.53 4.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -55.23 -42.94 74.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.836 HG21 ' HB2' ' A' ' 56' ' ' TRP . 48.9 t -72.08 133.22 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -121.94 135.78 54.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.653 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 1.5 m-85 -90.92 -174.8 4.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.58 ' CA ' HG21 ' A' ' 18' ' ' THR . 0.3 OUTLIER -172.12 158.74 4.27 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 95.27 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.504 1.792 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 146.67 -17.13 1.62 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -66.78 -179.27 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.751 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -132.3 158.28 42.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.406 HG12 ' SG ' ' A' ' 98' ' ' CYS . 15.4 t -134.58 99.22 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 9.8 mm -87.65 112.74 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.68 ' SG ' HD22 ' A' ' 40' ' ' LEU . 4.0 m -102.52 94.39 5.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 108.335 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -104.29 168.45 9.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.542 ' HB2' HD11 ' A' ' 10' ' ' ILE . 2.8 tm-20 -106.7 122.57 46.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.354 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.83 95.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -134.08 159.08 41.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.45 121.5 45.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.596 HG23 ' HD2' ' A' ' 105' ' ' PRO . 5.9 p -170.24 141.7 1.72 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.596 ' HD2' HG23 ' A' ' 104' ' ' VAL . 18.2 Cg_endo -75.01 106.53 2.29 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.496 1.787 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.8 t -81.98 160.7 23.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.388 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.68 106.17 1.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 42.6 m -145.09 139.68 27.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.393 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 16.2 t -134.42 -57.59 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.023 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -61.91 131.21 49.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 108.012 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -102.56 131.37 22.48 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 146.03 32.03 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -49.63 149.9 5.0 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.146 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -86.69 148.94 25.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.9 t -179.04 137.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.034 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 159.13 175.0 29.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 119' ' ' SER . 18.2 Cg_endo -75.0 -47.32 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.474 1.776 . . . . 0.0 110.96 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 52.4 m 66.6 -70.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 117' ' ' PRO . 44.9 t 65.39 160.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.983 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -81.3 167.27 19.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 0.795 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.3 p -153.2 157.26 39.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.55 149.88 5.56 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.6 t -167.39 123.53 1.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 0.0 110.008 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.5 142.02 47.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.13 159.52 4.88 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.12 . . . . 0.0 110.971 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -84.17 153.45 62.9 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 0.747 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 127.13 10.42 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.544 1.812 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.1 mt -78.49 -46.7 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -168.73 139.37 5.62 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.12 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -105.57 124.83 50.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.749 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.05 131.62 54.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 m -96.62 142.14 29.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.041 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.576 HD13 ' HB3' ' A' ' 90' ' ' PHE . 52.9 mt -84.16 120.15 34.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.7 HD11 ' HB2' ' A' ' 34' ' ' ARG . 9.6 mt -92.4 -41.23 10.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.12 159.55 41.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.587 HG21 ' CA ' ' A' ' 91' ' ' LYS . 17.5 p -141.12 142.68 34.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.381 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.554 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 10.0 p90 -162.28 179.77 7.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.688 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.5 m -121.13 162.1 20.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.38 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 28' ' ' ILE . 5.8 m -131.11 159.04 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.3 m -112.92 132.51 55.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 110.437 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -139.29 99.34 3.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . 58.78 47.37 90.72 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.597 1.186 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER 89.35 -43.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.278 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.88 160.06 2.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -132.36 101.22 5.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.81 HD12 ' N ' ' A' ' 28' ' ' ILE . 2.2 mp -96.54 124.66 50.04 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.688 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.2 Cg_endo -75.06 128.76 11.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.58 HG23 HG22 ' A' ' 21' ' ' VAL . 47.9 t -113.49 157.01 14.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.777 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -139.47 119.84 13.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.33 118.32 30.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 p -131.04 139.95 50.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 108.304 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.7 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -104.3 122.2 44.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.283 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.673 HG21 HG22 ' A' ' 73' ' ' ILE . 57.6 t -51.7 126.87 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -99.39 -38.23 8.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.23 148.96 33.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.76 -135.35 49.34 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.449 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 7.8 pt20 -155.81 175.59 13.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.751 . . . . 0.0 110.355 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.2 mt -117.18 124.7 49.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -104.87 118.34 36.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 110.244 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.52 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 0.8 OUTLIER -59.55 153.48 19.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.52 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 12.3 t60 88.75 -42.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.609 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -52.12 -176.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.358 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.493 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 4.5 mttt -99.5 151.03 21.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.087 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.493 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 15.0 m-85 -142.34 174.72 10.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.527 ' HD2' HD11 ' A' ' 49' ' ' ILE . 15.4 pttt -163.56 148.31 10.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.879 HD23 HG13 ' A' ' 55' ' ' ILE . 19.5 tp -104.34 119.69 39.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.733 HD12 ' N ' ' A' ' 49' ' ' ILE . 1.6 mp -108.09 118.32 55.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.431 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 19.6 ttp85 -123.36 113.18 18.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.431 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 4.1 t-20 77.39 1.35 3.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.06 -14.59 26.14 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.533 1.146 . . . . 0.0 110.97 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -96.63 150.27 20.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 0.792 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 t -91.16 132.78 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.879 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -106.5 -42.75 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.765 ' HB2' HG21 ' A' ' 88' ' ' VAL . 48.3 t90 -130.4 138.44 50.35 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.83 125.13 21.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.487 ' O ' ' CH2' ' A' ' 56' ' ' TRP . . . 154.06 -167.16 32.22 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 p -94.01 157.38 16.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.544 ' CD2' HD13 ' A' ' 81' ' ' LEU . 15.3 mt -79.72 163.09 24.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 65.5 p -101.66 -19.3 15.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.436 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.5 m -164.15 160.76 21.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.995 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.471 ' HB3' ' CG ' ' A' ' 42' ' ' ARG . 11.5 tp -158.62 124.7 4.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.354 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -133.42 133.94 42.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.18 -42.72 62.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.612 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.17 -62.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.602 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.87 53.86 1.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -179.64 120.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -67.18 78.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.527 ' CG2' HD11 ' A' ' 73' ' ' ILE . 15.5 tt -87.55 166.18 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 92.8 p -115.95 -34.77 4.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.019 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.466 ' O ' HD13 ' A' ' 73' ' ' ILE . 19.5 t -108.75 145.62 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.673 HG22 HG21 ' A' ' 35' ' ' VAL . 48.0 mm -129.3 109.89 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -69.47 -176.25 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.2 m -79.01 145.18 34.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.365 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.11 -0.13 74.57 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.7 mmm -93.75 128.75 40.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 0.762 . . . . 0.0 111.041 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -84.17 146.24 27.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 24.5 p -160.07 158.49 30.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 108.258 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -127.59 135.57 8.8 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.544 HD13 ' CD2' ' A' ' 60' ' ' LEU . 3.8 pp -126.04 162.68 24.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.785 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.481 ' OG ' HG22 ' A' ' 30' ' ' VAL . 12.6 m -143.74 138.82 29.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.741 HD13 ' CG ' ' A' ' 56' ' ' TRP . 10.0 mt -92.19 147.83 22.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -18.57 64.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 87' ' ' LYS . 3.6 tp10 -100.37 79.6 2.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -43.57 -27.52 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 85' ' ' GLU . 5.0 mttp -48.99 -47.58 44.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.765 HG21 ' HB2' ' A' ' 56' ' ' TRP . 61.1 t -67.93 124.51 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -115.87 137.42 52.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.777 ' CD2' ' HB2' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -88.72 179.63 6.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 111.017 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.587 ' CA ' HG21 ' A' ' 18' ' ' THR . 6.0 mttt -165.28 157.05 13.04 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 55.34 3.91 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -177.65 34.32 0.08 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.447 1.092 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.435 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 0.5 OUTLIER -118.95 -168.65 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 109.315 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -144.55 152.84 41.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 22.2 t -130.05 103.55 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.47 ' HB ' ' CE ' ' A' ' 47' ' ' LYS . 18.5 mm -90.75 124.71 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 17.4 t -114.76 101.18 8.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 108.301 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -123.92 165.07 18.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 111.022 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -121.38 125.56 47.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.42 97.79 3.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -167.79 137.97 2.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 8.7 pttp -132.69 118.39 19.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.247 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.428 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 0.6 OUTLIER -149.37 132.2 8.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 104' ' ' VAL . 18.4 Cg_endo -75.0 86.46 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.472 1.775 . . . . 0.0 111.015 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.2 t -42.2 145.88 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.37 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.61 81.98 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.651 ' O ' HG22 ' A' ' 108' ' ' THR . 4.3 m 59.13 54.94 4.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.377 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.3 m -123.82 143.28 50.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 78.48 122.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.509 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 0.2 OUTLIER 163.38 -52.03 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 111' ' ' ASP . 18.4 Cg_endo -74.99 107.99 2.61 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.476 1.777 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 142.18 95.44 0.23 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.442 1.088 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.81 -55.41 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.5 t -54.01 105.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.02 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -68.68 -152.52 0.46 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 176.42 9.94 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.442 1.759 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.4 m 50.08 95.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.017 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.9 t -109.55 150.61 27.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.011 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.517 1.135 . . . . 0.0 111.022 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.38 82.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 0.766 . . . . 0.0 109.989 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.1 t -174.26 134.05 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.034 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.44 -178.8 48.71 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -69.27 125.76 27.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 110.028 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.87 110.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.0 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.22 120.81 1.96 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.509 1.131 . . . . 0.0 111.039 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -71.08 150.9 94.83 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.767 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.463 ' HB3' ' CG2' ' A' ' 97' ' ' ILE . 18.3 Cg_endo -74.95 131.54 14.47 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.508 1.793 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.1 mt -83.03 -42.85 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.33 145.38 11.09 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.466 1.104 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.554 ' HG2' HD12 ' A' ' 97' ' ' ILE . 3.4 mp0 -113.27 121.83 45.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 110.309 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.96 131.01 57.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.72 140.96 34.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.004 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.62 HD13 ' HB3' ' A' ' 90' ' ' PHE . 60.6 mt -85.31 117.2 29.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.678 HD11 ' HB2' ' A' ' 34' ' ' ARG . 13.2 mt -90.51 -38.85 12.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.33 160.23 42.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.504 HG22 ' CG2' ' A' ' 15' ' ' ILE . 13.8 p -141.36 138.68 33.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 30' ' ' VAL . 8.3 p90 -153.79 -177.26 6.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.133 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.518 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.9 m -118.42 163.44 16.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.37 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.579 HG22 ' O ' ' A' ' 28' ' ' ILE . 6.7 m -135.7 158.52 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.9 m -116.03 143.14 45.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.406 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -149.81 99.45 2.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.92 -44.2 3.32 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.2 mttt 175.31 -43.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.99 175.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.12 97.72 4.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.579 ' O ' HG22 ' A' ' 21' ' ' VAL . 4.4 mp -89.74 124.02 64.96 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.518 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.5 Cg_endo -74.95 146.94 33.46 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.512 1.796 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.525 HG23 HG22 ' A' ' 21' ' ' VAL . 53.8 t -137.43 154.74 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.727 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -134.2 120.27 19.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.41 116.83 24.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 p -127.68 145.25 50.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 108.313 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.678 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -108.66 122.68 47.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.475 HG21 HG22 ' A' ' 73' ' ' ILE . 85.4 t -62.12 112.12 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -88.8 -45.17 9.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -139.47 136.39 34.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.433 ' O ' ' CG1' ' A' ' 35' ' ' VAL . . . 76.47 -164.04 53.16 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.448 1.093 . . . . 0.0 111.026 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -132.76 172.27 12.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 0.793 . . . . 0.0 110.262 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 72' ' ' VAL . 77.0 mt -117.05 124.5 49.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -105.84 122.97 47.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -71.56 83.2 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 172.18 -47.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.582 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -56.47 -173.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.581 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 2.7 mmtp -99.23 162.29 13.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.581 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 14.6 m-85 -146.8 169.02 19.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.441 ' HE2' ' CE1' ' A' ' 99' ' ' TYR . 1.4 pttt -157.04 145.73 19.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.509 HD22 ' CD2' ' A' ' 90' ' ' PHE . 41.5 tp -104.23 112.45 25.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.657 HD12 ' N ' ' A' ' 49' ' ' ILE . 2.7 mp -101.51 119.41 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 2.1 ttm180 -126.1 112.73 16.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER 80.56 -1.84 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.13 -12.9 24.08 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -100.27 148.05 25.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 0.78 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.7 t -87.04 135.05 26.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.495 ' CD1' ' O ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -110.54 -42.15 4.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.974 ' CG ' HD13 ' A' ' 83' ' ' LEU . 63.0 t90 -129.14 134.99 48.28 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.1 ttpp -137.07 117.16 13.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 163.85 -164.47 36.44 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -91.17 147.53 22.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.99 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.711 HD11 HD22 ' A' ' 81' ' ' LEU . 32.6 mt -64.68 123.14 18.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.3 m -65.13 -20.78 66.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.425 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.3 m -167.16 169.94 12.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.8 tp -163.89 125.12 2.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -140.19 141.31 35.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.499 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 10.3 t60 -90.04 59.22 4.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.627 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.445 ' CB ' ' O ' ' A' ' 65' ' ' HIS . 4.0 t-160 83.06 -55.83 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.558 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.4 60.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -169.62 124.48 0.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -76.44 81.73 3.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.779 HG21 HD11 ' A' ' 73' ' ' ILE . 8.7 tt -90.87 170.4 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.1 m -116.07 -34.87 4.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.989 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 3.4 t -128.37 140.57 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.779 HD11 HG21 ' A' ' 70' ' ' ILE . 23.9 mm -115.86 120.23 64.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -80.48 176.31 9.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.5 m -74.35 145.67 43.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.429 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.68 -12.33 56.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 97.9 mtp -88.26 129.32 35.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.52 130.15 37.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 29.8 p -139.27 164.72 29.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.332 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -125.49 125.55 5.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.12 . . . . 0.0 110.995 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.711 HD22 HD11 ' A' ' 60' ' ' LEU . 4.5 pp -114.37 142.33 46.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 18.1 p -125.7 142.0 51.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.979 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.974 HD13 ' CG ' ' A' ' 56' ' ' TRP . 19.3 mt -98.72 149.9 22.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -65.02 -19.61 66.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -100.64 87.1 3.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.68 -23.1 4.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.0 mttp -53.12 -47.36 68.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 0.0 109.284 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.741 HG21 ' HB2' ' A' ' 56' ' ' TRP . 57.9 t -65.36 123.09 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -110.69 144.35 39.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.278 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.727 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -104.7 143.09 33.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.948 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.416 ' HG3' ' NH2' ' A' ' 50' ' ' ARG . 3.1 mmtm -126.16 159.5 62.01 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 89.31 1.17 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.433 1.754 . . . . 0.0 110.977 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 155.0 -22.44 0.59 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.408 ' HB2' HD12 ' A' ' 15' ' ' ILE . 2.4 m-20 -56.16 -170.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -144.66 149.47 35.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 27.6 t -129.33 102.57 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.554 HD12 ' HG2' ' A' ' 12' ' ' GLU . 20.7 mm -99.8 119.56 48.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 11.5 t -101.27 99.75 10.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 108.287 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.441 ' CE1' ' HE2' ' A' ' 47' ' ' LYS . 19.1 p90 -123.28 167.24 14.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -104.42 147.78 27.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.22 139.08 58.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.33 162.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.1 ptpp? -107.49 163.36 13.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.705 HG23 ' HD2' ' A' ' 105' ' ' PRO . 2.6 p -131.82 142.89 46.86 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.705 ' HD2' HG23 ' A' ' 104' ' ' VAL . 18.3 Cg_endo -75.07 130.24 13.03 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.505 1.792 . . . . 0.0 111.021 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.6 t -113.99 -31.86 6.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.391 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.74 85.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 15.2 t -141.36 149.07 40.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.408 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 75.7 m -166.71 155.86 10.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.034 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -126.92 112.97 15.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 107.963 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -80.05 140.87 53.88 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 177.7 8.24 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.524 1.802 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -160.09 102.84 0.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.444 1.09 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -155.72 132.88 10.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 67.5 m -137.5 157.55 46.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.021 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -126.4 90.96 0.37 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 165.44 31.32 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.27 166.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.02 128.83 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.108 . . . . 0.0 111.015 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.19 -58.29 3.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 0.768 . . . . 0.0 109.947 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.42 160.26 40.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.037 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.97 -128.8 3.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.9 t -113.54 155.5 25.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 110.027 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.0 p -110.98 123.1 49.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.029 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.06 148.59 5.33 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.53 1.143 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 39.7 p90 -83.98 155.32 64.36 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 110.998 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 136.55 20.55 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.48 1.779 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.434 ' CD1' ' HE3' ' A' ' 44' ' ' LYS . 17.8 mt -81.92 -34.88 12.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 175.93 146.09 5.79 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.459 ' HG2' HD12 ' A' ' 97' ' ' ILE . 1.5 mp0 -115.53 136.34 53.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.37 147.95 45.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.55 134.0 55.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.082 . . . . 0.0 109.967 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.604 HD13 ' HB3' ' A' ' 90' ' ' PHE . 57.1 mt -83.34 120.6 34.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 mt -95.14 -38.82 10.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -143.2 158.97 43.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.506 HG22 ' CG2' ' A' ' 15' ' ' ILE . 19.8 p -142.48 137.85 30.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.388 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.544 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 8.7 p90 -152.24 -179.18 7.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.43 HG23 ' HA ' ' A' ' 29' ' ' PRO . 2.8 m -119.82 164.27 16.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 110.397 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.595 HG22 ' O ' ' A' ' 28' ' ' ILE . 6.6 m -136.65 157.83 36.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 4.1 m -121.86 127.15 50.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.397 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.527 ' CG ' ' CD1' ' A' ' 28' ' ' ILE . 0.3 OUTLIER -152.01 99.4 2.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.31 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.04 55.26 3.58 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt 52.15 22.64 1.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 109.264 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 22' ' ' THR . 1.6 mtmt -110.89 161.76 15.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -131.67 92.44 3.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.595 ' O ' HG22 ' A' ' 21' ' ' VAL . 1.9 mp -96.94 120.16 62.1 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.43 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.4 Cg_endo -74.99 123.45 7.9 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.492 1.785 . . . . 0.0 110.96 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.569 HG23 HG22 ' A' ' 21' ' ' VAL . 53.7 t -105.85 153.79 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.827 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -133.53 121.91 22.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.8 123.94 38.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.4 p -139.81 158.45 44.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 108.318 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.05 116.94 29.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.655 HG21 HG22 ' A' ' 73' ' ' ILE . 92.5 t -51.74 113.64 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -79.03 -48.17 14.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.352 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.92 149.05 30.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.0 -137.51 18.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.633 ' OE1' HG13 ' A' ' 72' ' ' VAL . 2.7 pt20 -157.2 174.8 14.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 0.739 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.522 HD22 ' SG ' ' A' ' 98' ' ' CYS . 45.8 mt -117.34 124.59 49.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -102.62 121.48 42.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.457 ' HG2' ' CD2' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -74.66 73.98 2.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.454 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 4.8 p-80 165.64 -34.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.606 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.434 ' HE3' ' CD1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -61.63 178.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.557 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -94.03 150.81 20.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.557 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 16.2 m-85 -146.47 178.19 8.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.555 ' HD2' HD11 ' A' ' 49' ' ' ILE . 8.2 pttt -163.56 155.21 17.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.718 HD23 HG13 ' A' ' 55' ' ' ILE . 21.1 tp -106.9 122.34 46.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.759 HD12 ' N ' ' A' ' 49' ' ' ILE . 2.3 mp -108.47 114.52 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.47 ' HB2' ' CD1' ' A' ' 55' ' ' ILE . 7.1 ttp-105 -126.45 119.12 26.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.462 ' N ' ' OD1' ' A' ' 51' ' ' ASN . 0.8 OUTLIER 75.36 3.24 3.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.53 -12.01 42.91 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -103.95 147.64 27.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 110.312 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.444 HG22 HG13 ' A' ' 49' ' ' ILE . 4.7 t -87.48 133.91 29.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.718 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -105.21 -43.56 7.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.803 ' CG ' HD13 ' A' ' 83' ' ' LEU . 40.3 t90 -124.63 138.43 54.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 107.993 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.02 113.36 9.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.508 ' C ' ' CH2' ' A' ' 56' ' ' TRP . . . 168.79 -158.06 30.49 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.2 p -105.99 152.47 23.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.767 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.589 ' CD2' HD13 ' A' ' 81' ' ' LEU . 8.9 mt -73.82 158.17 35.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 64.8 p -106.33 -26.74 11.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.415 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -148.68 162.78 39.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.011 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.457 ' CD2' ' HG2' ' A' ' 42' ' ' ARG . 2.5 tp -170.61 123.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -130.33 150.15 51.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 2.2 t60 -95.62 55.51 1.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.582 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.406 ' CB ' ' O ' ' A' ' 65' ' ' HIS . 0.2 OUTLIER 80.44 -63.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.605 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -147.27 63.68 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.0 t0 177.64 117.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -71.76 82.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.448 HG21 HD11 ' A' ' 73' ' ' ILE . 12.5 tt -92.26 168.6 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.228 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.22 -34.83 4.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.633 HG13 ' OE1' ' A' ' 39' ' ' GLN . 5.6 t -119.98 142.43 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.655 HG22 HG21 ' A' ' 35' ' ' VAL . 7.5 mm -122.75 125.97 73.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -79.21 -171.36 2.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.2 m -85.53 146.32 26.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.401 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 73.65 3.62 63.54 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.515 1.135 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.5 mmm -94.61 132.55 39.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 0.74 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.412 ' O ' ' ND1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -84.74 142.19 30.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.458 ' HB3' HD12 ' A' ' 73' ' ' ILE . 27.6 p -162.32 162.44 27.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 108.322 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -122.52 139.0 12.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.589 HD13 ' CD2' ' A' ' 60' ' ' LEU . 4.6 pp -130.55 152.06 50.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 0.748 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.5 p -135.82 153.26 51.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.001 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.803 HD13 ' CG ' ' A' ' 56' ' ' TRP . 4.6 mt -107.37 146.17 31.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -54.93 -20.28 8.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -94.68 133.6 38.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -91.5 -32.43 15.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.65 -42.7 62.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.652 HG21 ' HB2' ' A' ' 56' ' ' TRP . 14.6 p -70.09 122.98 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -120.21 138.9 53.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.339 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.827 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -93.86 145.36 24.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.97 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.93 161.48 61.22 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 54.89 3.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -174.65 33.04 0.1 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.452 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 0.1 OUTLIER -117.18 -165.97 1.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.773 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' ILE . 33.8 mt-30 -153.42 152.5 31.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.5 t -128.73 97.92 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.459 HD12 ' HG2' ' A' ' 12' ' ' GLU . 8.4 mm -88.78 109.74 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.522 ' SG ' HD22 ' A' ' 40' ' ' LEU . 3.9 m -97.85 94.01 6.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 108.319 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 20.0 p90 -99.34 170.63 8.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -104.88 143.99 32.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.34 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -109.22 88.21 2.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -176.8 -61.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 47.26 87.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.258 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.0 m -101.69 154.01 37.56 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 95.0 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.525 1.803 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 68.1 p -144.7 117.81 8.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -82.69 123.05 28.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 21.0 m -128.34 136.11 50.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.406 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.7 m -42.28 122.62 2.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 25.0 m95 -66.44 153.57 42.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 107.981 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 62.95 149.51 0.1 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.264 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 131.9 14.81 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -80.98 -170.31 42.95 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.549 1.156 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -82.47 139.62 33.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 54.9 p -165.84 134.5 3.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 75.66 170.76 29.3 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 177.9 7.99 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.508 1.794 . . . . 0.0 111.003 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 60.6 p -112.25 161.43 16.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.043 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.1 t -150.44 150.6 31.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.983 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.52 1.137 . . . . 0.0 110.97 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.61 94.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.744 . . . . 0.0 109.96 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.08 118.57 3.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.977 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.13 166.75 10.85 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.536 1.147 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 p -98.51 155.28 17.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.777 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 p -97.38 169.45 9.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.023 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.23 142.04 32.25 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -106.22 156.69 36.45 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 127.16 10.43 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.513 1.796 . . . . 0.0 110.978 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.1 mt -73.68 -45.37 50.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -167.98 146.77 10.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -100.8 143.55 30.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.93 130.51 35.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.59 140.57 34.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.515 ' CG2' HG22 ' A' ' 18' ' ' THR . 75.0 mt -88.23 118.56 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.735 HD11 ' HB2' ' A' ' 34' ' ' ARG . 10.3 mt -91.51 -39.02 12.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.1 162.15 38.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.515 HG22 ' CG2' ' A' ' 15' ' ' ILE . 8.7 p -143.82 143.55 31.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.365 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -161.61 -177.22 5.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 29' ' ' PRO . 7.4 m -115.43 166.37 11.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 110.446 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 28' ' ' ILE . 6.7 m -137.55 159.89 34.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.1 m -111.11 135.9 50.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.416 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -144.21 99.14 3.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.95 -47.85 3.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -179.83 -38.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.46 175.04 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.37 101.25 5.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.657 HD12 ' N ' ' A' ' 28' ' ' ILE . 3.8 mp -90.42 123.51 65.27 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.409 ' HA ' ' HA ' ' A' ' 20' ' ' THR . 18.2 Cg_endo -75.02 129.26 12.17 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.541 HG23 HG22 ' A' ' 21' ' ' VAL . 77.4 t -116.81 157.87 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.811 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -133.76 119.54 19.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.94 121.3 31.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.246 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.3 p -132.6 151.32 51.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 108.309 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.735 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -107.85 118.56 37.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.68 HG21 HG22 ' A' ' 73' ' ' ILE . 51.9 t -55.39 118.88 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.454 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 5.6 mm-40 -94.91 -39.36 10.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.454 ' CG ' ' O ' ' A' ' 36' ' ' GLN . 2.1 mttm -155.49 134.56 12.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.47 -151.61 23.51 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.434 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 9.8 pt20 -143.55 167.19 22.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.2 mt -117.98 127.05 53.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.509 ' O ' HD22 ' A' ' 63' ' ' LEU . 27.9 mt-10 -96.07 177.82 5.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.78 -22.61 10.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -114.76 43.78 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.616 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -130.18 173.42 10.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.524 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.6 OUTLIER -90.18 146.88 23.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 98' ' ' CYS . 20.0 m-85 -145.01 173.93 11.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.792 ' CD ' HD11 ' A' ' 49' ' ' ILE . 1.2 pttm -163.48 151.99 13.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.906 HD23 HG13 ' A' ' 55' ' ' ILE . 20.2 tp -104.21 120.32 40.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.792 HD11 ' CD ' ' A' ' 47' ' ' LYS . 2.0 mp -110.52 110.26 31.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.35 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.435 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 9.7 ttp-105 -121.54 115.44 22.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 1.1 t-20 77.16 7.25 3.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.06 -14.16 55.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.11 . . . . 0.0 111.04 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -98.69 150.41 21.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 t -92.95 124.57 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.906 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -95.68 -34.94 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 1.022 ' CG ' HD13 ' A' ' 83' ' ' LEU . 35.1 t90 -136.66 140.43 42.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 107.984 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -137.58 137.63 38.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 147.47 -135.51 5.65 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.42 1.075 . . . . 0.0 111.035 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 p -130.5 152.2 50.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.989 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.67 ' CD2' HD13 ' A' ' 81' ' ' LEU . 14.9 mt -70.5 164.46 24.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.0 p -108.07 -17.33 14.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.5 m -163.01 161.66 25.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.509 HD22 ' O ' ' A' ' 41' ' ' GLU . 12.3 tp -162.23 115.13 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -126.92 160.78 30.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.8 ' CD2' ' CD2' ' A' ' 66' ' ' HIS . 2.8 t60 -108.39 -61.89 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.584 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.8 ' CD2' ' CD2' ' A' ' 65' ' ' HIS . 0.4 OUTLIER -176.93 115.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.601 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 42.45 45.87 3.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.79 116.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.58 81.37 1.99 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.8 tt -90.56 164.26 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.466 ' O ' HD23 ' A' ' 63' ' ' LEU . 89.4 p -116.01 -35.56 4.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.7 t -105.28 150.01 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.355 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.68 HG22 HG21 ' A' ' 35' ' ' VAL . 25.0 mm -134.7 122.33 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -78.82 178.25 8.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.9 m -78.69 137.71 37.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.402 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.85 1.89 79.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.451 1.094 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.3 mmm -98.54 138.53 35.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.73 133.95 36.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 24.1 p -150.47 159.07 44.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 108.273 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -124.2 127.99 6.66 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.67 HD13 ' CD2' ' A' ' 60' ' ' LEU . 4.6 pp -114.85 166.66 11.52 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 0.799 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 97.4 p -146.47 156.48 43.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.022 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.022 HD13 ' CG ' ' A' ' 56' ' ' TRP . 12.2 mt -108.09 157.13 18.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -71.22 -17.78 62.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.44 ' C ' ' N ' ' A' ' 87' ' ' LYS . 4.8 tp10 -104.37 73.59 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -39.7 -29.24 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.44 ' N ' ' C ' ' A' ' 85' ' ' GLU . 8.4 mttm -46.31 -46.62 18.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.715 HG11 ' HB2' ' A' ' 56' ' ' TRP . 58.3 t -67.97 119.91 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -107.04 138.73 42.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.341 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.811 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -93.45 147.44 22.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.04 160.12 68.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 104.72 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.524 1.802 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.57 39.72 0.32 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.46 -166.61 1.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 0.737 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -143.52 146.63 33.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.418 HG11 HD21 ' A' ' 81' ' ' LEU . 16.1 t -130.61 99.46 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 46.6 mm -90.33 126.99 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.566 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 20.4 t -111.0 100.72 9.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 108.285 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 45' ' ' LYS . 35.3 p90 -112.86 173.86 6.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.07 125.93 30.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.42 -56.77 4.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -67.43 108.0 2.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -91.96 150.62 20.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.1 p -131.81 133.35 24.03 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 123.83 8.17 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.777 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.7 t -53.24 -33.7 54.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 26.6 tttt 55.58 80.3 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 13.3 t -70.47 155.1 41.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.409 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 90.8 p -147.12 147.09 30.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 2.6 t-105 -88.27 120.45 29.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 108.007 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -164.09 140.47 5.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 116.82 4.7 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.463 1.77 . . . . 0.0 111.007 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -97.87 139.64 14.58 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -85.64 165.13 17.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.76 166.35 24.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 124.41 -178.01 16.6 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 100.21 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.545 1.813 . . . . 0.0 110.979 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.9 166.28 16.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.69 84.28 7.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.79 111.66 23.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.777 . . . . 0.0 110.007 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.4 m -67.21 154.26 41.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.049 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.77 65.11 0.16 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 m -117.04 109.0 16.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 0.748 . . . . 0.0 110.008 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 t -114.84 136.12 53.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.022 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.95 -129.55 3.98 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.482 1.113 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -162.91 157.11 17.81 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.541 0.789 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 141.21 26.44 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.455 1.766 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.553 HG21 ' OE1' ' A' ' 41' ' ' GLU . 69.4 mt -79.81 -40.65 21.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.15 145.91 10.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -114.54 164.56 13.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 110.283 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.8 150.64 30.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.02 134.77 55.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.994 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.531 HD13 ' HB3' ' A' ' 90' ' ' PHE . 61.0 mt -79.93 120.17 30.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.555 HD11 ' HB2' ' A' ' 34' ' ' ARG . 17.7 mt -93.64 -38.27 11.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -143.19 160.48 40.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.528 HG21 ' CA ' ' A' ' 91' ' ' LYS . 34.6 p -140.82 134.79 30.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 0.0 110.406 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' VAL . 6.9 p90 -155.92 -177.83 6.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.659 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.9 m -120.37 163.32 18.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.44 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.593 HG22 HG23 ' A' ' 30' ' ' VAL . 3.8 m -132.5 160.51 42.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.4 m -115.64 138.46 51.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.414 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -141.85 99.49 3.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.49 -49.03 4.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.047 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.07 -40.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 0.775 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.39 172.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.48 98.3 4.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.556 ' O ' HG22 ' A' ' 21' ' ' VAL . 4.3 mp -90.0 125.76 59.52 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.659 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.4 Cg_endo -75.01 137.99 22.42 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.539 1.81 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.593 HG23 HG22 ' A' ' 21' ' ' VAL . 52.0 t -125.9 151.03 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.73 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -128.81 121.53 28.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.74 123.13 35.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 p -133.09 150.24 52.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 108.284 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.555 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -111.46 116.83 31.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.614 HG21 HG22 ' A' ' 73' ' ' ILE . 45.2 t -52.53 125.8 7.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -105.91 -33.63 7.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 110.285 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -147.69 136.63 22.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.17 -157.91 53.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -133.86 176.75 8.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.3 mt -117.14 124.59 49.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.553 ' OE1' HG21 ' A' ' 10' ' ' ILE . 5.5 mt-10 -105.95 117.77 34.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.444 ' CG ' ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -67.28 70.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.335 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.414 ' N ' ' O ' ' A' ' 41' ' ' GLU . 1.7 t-80 -179.11 -44.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.596 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 mmtm -56.9 -171.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.595 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 1.4 mptp? -97.96 165.12 12.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 30.2 m-85 -151.39 160.35 43.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.464 ' HE2' ' CE1' ' A' ' 99' ' ' TYR . 5.3 pttt -150.36 139.05 20.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.419 ' O ' ' CD1' ' A' ' 55' ' ' ILE . 30.4 tp -103.81 101.76 11.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 94' ' ' ASP . 1.6 mp -89.18 117.91 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.577 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 6.6 ttm180 -119.11 110.68 17.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.577 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 11.2 t-20 88.21 -36.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 162.54 -26.66 0.24 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -105.97 150.44 25.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 110.247 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.422 HG12 ' H ' ' A' ' 54' ' ' VAL . 1.3 p -83.7 147.76 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.519 HD11 ' HB2' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -113.03 -32.38 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.779 ' CG ' HD13 ' A' ' 83' ' ' LEU . 78.6 t90 -130.36 133.55 46.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 108.015 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.52 128.28 31.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 46' ' ' PHE . . . 151.24 -160.54 28.73 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.499 1.125 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.59 150.68 21.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 0.739 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.858 HD22 HD13 ' A' ' 81' ' ' LEU . 5.9 mt -72.19 159.46 34.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.528 HG21 ' HB3' ' A' ' 84' ' ' ASP . 69.4 p -102.24 -13.19 17.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.431 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.4 m -159.83 167.54 27.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.444 ' HB3' ' CG ' ' A' ' 42' ' ' ARG . 14.3 tp -176.23 121.22 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -139.53 155.55 47.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 15.5 t60 -106.84 38.78 2.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.603 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 67' ' ' LYS . 9.0 t-160 73.87 118.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.566 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' HIS . 6.3 tmtt? 39.18 56.44 2.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 67' ' ' LYS . 0.1 OUTLIER 177.32 119.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.15 82.59 8.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.427 HG21 HD11 ' A' ' 73' ' ' ILE . 5.1 tt -91.8 170.68 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.57 -43.47 3.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.984 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.3 t -109.47 143.4 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.626 HG21 ' SG ' ' A' ' 79' ' ' CYS . 28.4 mm -120.81 116.21 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -76.61 -176.33 3.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.1 m -77.58 152.9 33.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.41 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.83 10.13 57.83 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 65.1 mtp -104.43 123.58 47.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 0.747 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.52 132.27 34.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.626 ' SG ' HG21 ' A' ' 73' ' ' ILE . 13.6 p -147.22 156.0 42.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 108.322 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -119.71 130.26 8.38 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.858 HD13 HD22 ' A' ' 60' ' ' LEU . 3.6 pp -117.56 176.25 5.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.791 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.2 p -156.09 139.39 15.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.99 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.779 HD13 ' CG ' ' A' ' 56' ' ' TRP . 1.1 mt -93.81 142.9 26.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.528 ' HB3' HG21 ' A' ' 61' ' ' THR . 11.6 p-10 -55.95 -26.07 46.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -93.95 91.5 6.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.337 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.68 -19.7 28.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -57.78 -43.03 85.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.609 HG11 ' HB2' ' A' ' 56' ' ' TRP . 23.7 t -67.29 133.71 31.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -122.94 141.18 52.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.73 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -97.59 171.14 8.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.528 ' CA ' HG21 ' A' ' 18' ' ' THR . 24.2 mttm -155.24 159.55 31.64 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 54.7 3.73 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.489 1.784 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -175.71 33.23 0.09 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.421 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 2.4 m-20 -117.24 -171.66 2.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 0.8 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -139.84 154.56 47.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.466 ' C ' HD12 ' A' ' 97' ' ' ILE . 41.5 t -137.22 97.75 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.607 ' N ' HD12 ' A' ' 97' ' ' ILE . 1.2 mp -90.42 122.91 42.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 11.7 t -106.09 96.8 6.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 108.314 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.464 ' CE1' ' HE2' ' A' ' 47' ' ' LYS . 7.6 p90 -138.71 175.92 9.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 111.053 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -121.48 128.63 52.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 110.279 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.13 120.05 37.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.251 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.87 132.74 55.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -86.33 157.28 19.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.835 HG22 ' HD2' ' A' ' 105' ' ' PRO . 0.5 OUTLIER 59.99 163.12 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.835 ' HD2' HG22 ' A' ' 104' ' ' VAL . 18.5 Cg_endo -75.02 159.18 41.59 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.469 1.773 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.0 t -129.32 146.41 51.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.138 . . . . 0.0 110.354 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.29 111.67 17.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 66.0 p -131.05 117.47 19.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.433 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 53.0 p -79.32 -58.3 3.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.996 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 45.41 80.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -123.67 123.63 26.3 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.165 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 69.56 5.55 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.465 1.771 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -124.24 131.61 7.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -83.18 149.68 26.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 0.783 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 52.5 p -134.95 -58.9 0.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 89.5 169.01 43.82 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.426 1.079 . . . . 0.0 110.957 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 145.32 31.22 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.516 1.798 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.18 -58.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.007 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 43.4 m -111.51 -58.51 2.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.0 m -56.34 148.4 18.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.985 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -140.9 -62.43 0.48 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.975 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.89 125.98 1.11 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.52 1.137 . . . . 0.0 110.963 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.0 p -168.83 102.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.756 . . . . 0.0 109.975 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.3 p -117.4 19.32 14.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.013 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.38 128.46 4.17 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -51.22 154.03 3.07 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.46 0.741 . . . . 0.0 110.962 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 125.8 9.54 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.545 1.813 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.2 mt -78.33 -44.01 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -165.45 134.56 3.35 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -100.58 125.46 46.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 0.788 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.91 143.0 42.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.95 133.63 55.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.613 HD13 ' HB3' ' A' ' 90' ' ' PHE . 47.7 mt -79.95 126.92 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.612 HD11 ' HB2' ' A' ' 34' ' ' ARG . 8.0 mt -103.84 -34.07 8.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -145.34 155.03 42.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.513 HG21 ' N ' ' A' ' 91' ' ' LYS . 28.7 p -140.38 137.34 33.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.374 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 10.1 p90 -152.98 -178.57 7.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -119.67 163.08 17.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.432 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.621 HG22 HG23 ' A' ' 30' ' ' VAL . 3.6 m -138.39 160.88 31.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.7 m -115.12 126.62 54.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.416 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -148.03 98.78 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.309 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.09 56.44 4.03 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.0 mttt 51.07 28.28 3.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 0.775 . . . . 0.0 109.273 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 mtmm -119.11 170.19 9.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.37 92.61 3.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.533 ' O ' HG22 ' A' ' 21' ' ' VAL . 4.4 mp -94.51 119.68 66.02 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 122.94 7.53 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.458 1.767 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.621 HG23 HG22 ' A' ' 21' ' ' VAL . 78.1 t -105.38 157.45 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.826 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -136.7 119.1 15.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.23 119.35 33.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.2 p -131.12 152.9 49.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 108.304 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.612 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -109.77 117.25 33.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.5 t -51.44 120.71 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -94.37 -34.96 12.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 110.332 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -148.36 143.12 26.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.14 -137.9 27.19 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.46 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 6.9 pt20 -154.45 174.22 15.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.3 mt -116.89 124.62 49.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -110.82 129.65 55.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.441 ' CG ' ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -78.02 82.59 4.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 177.04 -56.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.579 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -52.71 -176.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.55 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 5.2 mttt -98.19 164.61 12.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 98' ' ' CYS . 28.5 m-85 -148.58 173.65 12.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.691 ' HD2' HD11 ' A' ' 49' ' ' ILE . 15.4 pttm -160.88 147.03 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.567 HD21 ' HA ' ' A' ' 90' ' ' PHE . 20.7 tp -103.79 107.24 18.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.691 HD11 ' HD2' ' A' ' 47' ' ' LYS . 3.1 mp -92.0 121.18 42.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.557 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 2.6 ttm180 -131.62 111.24 11.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.097 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.557 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 4.5 t30 87.03 -12.34 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 130.05 -22.88 4.74 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -106.43 147.17 29.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 0.716 . . . . 0.0 110.343 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.506 HG12 HG13 ' A' ' 49' ' ' ILE . 0.6 OUTLIER -79.29 147.61 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.518 ' CD1' ' O ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -114.72 -15.51 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.874 ' CD2' HD22 ' A' ' 83' ' ' LEU . 53.1 t90 -146.89 138.94 24.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 107.994 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.1 131.81 37.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.488 ' O ' ' CH2' ' A' ' 56' ' ' TRP . . . 141.37 -164.79 26.53 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.472 1.107 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.35 151.58 21.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 110.012 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.919 HD22 ' HB2' ' A' ' 81' ' ' LEU . 0.8 OUTLIER -67.84 167.69 13.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.468 ' CG2' ' HB3' ' A' ' 84' ' ' ASP . 24.0 p -104.53 -19.85 13.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.354 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.8 m -161.64 169.45 21.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.441 ' HB3' ' CG ' ' A' ' 42' ' ' ARG . 10.2 tp -169.4 122.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -132.95 149.23 52.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.541 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 33.8 t60 -112.21 52.23 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.593 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.46 ' N ' ' CD2' ' A' ' 66' ' ' HIS . 2.9 m170 64.45 101.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.576 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.15 67.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 173.79 101.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -71.68 82.75 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.715 ' CG2' HD11 ' A' ' 73' ' ' ILE . 9.5 tt -90.67 169.27 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 m -118.1 -39.92 3.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.987 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.8 t -116.79 135.1 58.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.715 HD11 ' CG2' ' A' ' 70' ' ' ILE . 19.8 mm -113.38 116.72 53.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -73.38 -175.35 1.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 57.0 m -78.9 144.08 35.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.415 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.85 12.94 84.12 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.5 mmm -106.35 127.57 53.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 111.039 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.412 ' HB2' ' CE1' ' A' ' 66' ' ' HIS . 0.1 OUTLIER -88.93 129.77 35.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 18.9 p -143.79 157.15 44.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 0.0 108.305 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -116.32 130.34 8.95 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.919 ' HB2' HD22 ' A' ' 60' ' ' LEU . 4.4 pp -121.91 151.18 40.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 p -130.49 134.81 47.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.051 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.874 HD22 ' CD2' ' A' ' 56' ' ' TRP . 13.3 mt -86.35 164.05 17.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.468 ' HB3' ' CG2' ' A' ' 61' ' ' THR . 2.2 p30 -90.99 41.54 1.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.636 ' O ' HG12 ' A' ' 88' ' ' VAL . 3.4 tp10 -159.88 130.53 5.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.46 -33.65 25.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -48.12 -45.93 33.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.346 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.636 HG12 ' O ' ' A' ' 85' ' ' GLU . 12.2 p -64.9 144.09 15.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -141.37 122.28 14.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.826 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 3.5 m-85 -76.04 -178.72 4.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.978 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.513 ' N ' HG21 ' A' ' 18' ' ' THR . 0.1 OUTLIER -172.02 155.7 3.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 54.75 3.76 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -177.37 34.09 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -120.71 -172.25 2.34 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.484 0.755 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -138.68 146.83 42.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 110.319 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.7 t -127.84 99.15 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.8 mm -86.93 132.57 32.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.56 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 9.4 t -117.14 96.14 5.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 108.3 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -119.0 171.44 8.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.01 170.64 9.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -120.5 110.4 16.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -91.57 -63.83 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.06 145.1 5.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.8 m -41.51 155.7 0.22 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 169.64 22.19 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.485 1.782 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 72.0 p -121.53 114.33 21.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.381 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.3 tppt? -40.84 153.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.7 m 62.89 112.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 110.386 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.3 96.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.958 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 27.3 m95 -97.07 153.9 17.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 108.06 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -143.14 108.26 5.33 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 135.65 19.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.465 1.771 . . . . 0.0 110.986 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 128.21 152.33 7.78 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 110.952 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -73.14 161.19 30.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.773 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.95 176.18 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 110.063 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.49 92.9 2.26 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.115 . . . . 0.0 111.033 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 67.65 5.85 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.504 1.792 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.0 t -137.12 122.33 19.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.031 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.43 159.93 28.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.028 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m -69.15 138.85 54.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 0.771 . . . . 0.0 109.992 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 p -143.55 119.63 10.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.91 -102.24 2.61 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.0 p -174.44 112.29 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.753 . . . . 0.0 109.98 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.69 141.18 50.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.018 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.68 164.37 31.63 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -93.13 152.73 41.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.444 0.732 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.404 ' HA ' ' CB ' ' A' ' 99' ' ' TYR . 18.2 Cg_endo -75.0 128.49 11.52 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.494 1.786 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.965 HD12 ' HA ' ' A' ' 99' ' ' TYR . 2.7 mt -69.74 -31.92 50.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 179.55 142.13 4.87 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.445 ' HB2' ' CE ' ' A' ' 37' ' ' LYS . 35.4 mt-10 -106.32 146.21 30.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.766 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 96' ' ' VAL . . . -141.2 135.01 30.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 33' ' ' CYS . 3.5 m -105.51 161.52 14.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.595 HD13 ' HB3' ' A' ' 90' ' ' PHE . 88.6 mt -101.9 124.48 55.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.822 HD11 ' HB2' ' A' ' 34' ' ' ARG . 6.5 mt -98.91 -37.85 9.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -145.35 151.45 38.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.637 HG21 ' CA ' ' A' ' 91' ' ' LYS . 30.7 p -133.93 135.9 43.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.457 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.469 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 14.1 p90 -153.6 -178.06 6.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.654 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.7 m -124.04 163.27 21.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.42 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.57 HG22 HG23 ' A' ' 30' ' ' VAL . 8.0 m -133.79 157.61 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.4 m -116.54 133.6 55.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.391 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -145.96 100.7 3.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . 75.38 40.88 32.1 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 111.034 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 4.2 tttt 87.2 -45.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.575 ' CG ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -58.76 167.89 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.266 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 0.1 OUTLIER -132.52 108.12 8.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.616 HD12 ' N ' ' A' ' 28' ' ' ILE . 4.0 mp -94.69 129.89 34.93 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.654 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.2 Cg_endo -75.03 138.81 23.44 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.57 HG23 HG22 ' A' ' 21' ' ' VAL . 51.5 t -129.52 154.8 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.663 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -139.66 119.52 13.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.88 115.49 26.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 14' ' ' SER . 1.3 p -124.79 149.13 47.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 108.3 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.822 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -112.18 121.94 46.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.479 HG21 HG22 ' A' ' 73' ' ' ILE . 30.6 t -60.02 119.3 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -99.69 -28.78 13.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.285 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.445 ' CE ' ' HB2' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -150.97 139.57 20.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.08 -147.23 42.56 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -143.82 170.16 16.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.763 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.0 mt -117.63 124.83 49.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -109.22 165.36 11.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.2 69.27 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -179.97 -45.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.657 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -52.09 175.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.558 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.4 OUTLIER -95.06 156.11 16.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.558 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 18.9 m-85 -146.22 171.61 14.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 111.054 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.632 ' HD2' HD11 ' A' ' 49' ' ' ILE . 0.4 OUTLIER -163.7 150.7 12.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.81 HD23 HG13 ' A' ' 55' ' ' ILE . 25.7 tp -105.0 120.39 41.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.704 HD12 ' N ' ' A' ' 49' ' ' ILE . 2.1 mp -106.77 117.13 51.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 8.3 ttm180 -123.66 114.22 19.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 0.6 OUTLIER 77.15 1.0 3.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.82 -15.19 24.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.446 1.091 . . . . 0.0 111.049 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -99.73 146.52 26.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.666 HG22 HG13 ' A' ' 49' ' ' ILE . 78.3 t -86.72 135.6 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.81 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -108.09 -33.48 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.859 ' CG ' HD13 ' A' ' 83' ' ' LEU . 69.7 t90 -137.8 135.54 36.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 107.99 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -137.92 113.76 9.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.465 ' O ' ' CH2' ' A' ' 56' ' ' TRP . . . 167.41 -166.77 39.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 p -91.79 152.68 20.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 109.96 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.675 HD22 HD13 ' A' ' 81' ' ' LEU . 15.2 mt -74.8 153.89 38.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 59.7 p -90.77 -27.72 18.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 110.398 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.7 m -157.69 157.24 33.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.4 tp -154.11 115.26 4.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -131.83 155.7 47.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.606 ' CD2' ' O ' ' A' ' 78' ' ' ASP . 64.4 t-80 -112.32 46.05 1.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.567 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.3 m170 70.06 107.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.598 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.0 tttm 41.94 64.99 0.95 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 173.55 94.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.243 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.37 82.91 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.613 HG21 HD11 ' A' ' 73' ' ' ILE . 13.8 tt -91.84 167.27 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.9 t -115.7 -36.37 4.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.981 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.2 t -117.52 142.26 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.613 HD11 HG21 ' A' ' 70' ' ' ILE . 19.0 mm -122.01 117.34 52.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.098 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -73.49 -178.02 2.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 73.0 m -79.13 145.49 33.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.404 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 75.39 18.0 80.03 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.453 ' SD ' ' NE2' ' A' ' 65' ' ' HIS . 4.2 mmm -109.97 136.67 48.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.606 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 0.4 OUTLIER -94.57 127.51 40.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 14.2 p -140.73 156.37 46.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 108.324 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -118.85 128.73 7.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.153 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.675 HD13 HD22 ' A' ' 60' ' ' LEU . 4.6 pp -121.25 163.53 18.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.43 0.723 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 12.8 p -145.06 145.15 31.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.97 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.859 HD13 ' CG ' ' A' ' 56' ' ' TRP . 10.1 mt -97.42 147.04 24.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.18 -26.04 67.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.27 92.03 7.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.264 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -56.45 -18.75 12.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -44.59 91.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.607 HG11 ' HB2' ' A' ' 56' ' ' TRP . 47.5 t -66.77 128.6 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -120.65 136.53 54.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 110.263 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.663 ' CD2' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -89.48 -172.73 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.637 ' CA ' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -175.09 158.66 2.18 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 58.23 4.85 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.461 1.769 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -178.35 35.07 0.08 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.455 ' HB2' HD12 ' A' ' 15' ' ' ILE . 24.8 m-20 -126.44 179.91 5.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.784 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -133.31 154.18 50.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 13' ' ' ALA . 24.9 t -130.82 98.69 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.572 ' N ' HD12 ' A' ' 97' ' ' ILE . 1.2 mp -86.27 114.64 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.498 ' SG ' ' CE2' ' A' ' 46' ' ' PHE . 38.7 t -99.49 97.14 8.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 108.336 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.965 ' HA ' HD12 ' A' ' 10' ' ' ILE . 3.1 p90 -144.69 176.21 9.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 111.041 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.22 152.6 21.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.6 81.65 1.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -135.36 163.83 29.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -89.32 140.43 29.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 0.9 OUTLIER -170.65 131.6 0.89 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 104' ' ' VAL . 18.3 Cg_endo -75.0 94.35 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.498 1.789 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.1 t -66.13 174.33 2.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.403 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -136.45 -59.05 0.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 16.4 m -50.66 155.69 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 110.411 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.58 85.68 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -166.99 129.16 1.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 108.015 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -128.38 150.69 74.96 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 161.48 38.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.447 1.762 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -174.19 71.5 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -145.62 134.57 22.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 0.779 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.83 146.49 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.013 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -170.93 71.24 0.12 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -46.95 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.776 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.9 t -169.25 -58.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.04 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.11 150.26 52.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.007 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.455 1.097 . . . . 0.0 111.039 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.52 145.82 30.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 110.006 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m -83.78 139.26 32.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.025 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.17 -100.92 2.62 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.9 p -158.54 127.22 5.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 0.756 . . . . 0.0 109.995 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.3 t -132.19 116.98 17.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.033 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.54 -156.35 29.46 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -101.97 155.18 36.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.759 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 134.73 18.09 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.445 1.76 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.509 HD11 ' HB2' ' A' ' 100' ' ' GLU . 23.3 mt -77.26 -43.81 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.409 ' CA ' ' HA3' ' A' ' 38' ' ' GLY . . . -163.41 142.02 7.55 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -101.89 161.57 13.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 110.347 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.663 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . . . -149.86 148.36 29.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.38 128.68 49.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.553 HD13 ' HB3' ' A' ' 90' ' ' PHE . 56.8 mt -77.27 116.36 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.77 HD11 ' HB2' ' A' ' 34' ' ' ARG . 15.3 mt -90.18 -35.79 15.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -147.32 163.85 35.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.468 HG22 ' CG2' ' A' ' 15' ' ' ILE . 15.3 p -142.39 146.75 35.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.163 . . . . 0.0 110.396 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.55 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 22.9 p90 -165.06 -177.34 4.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.459 HG23 ' HA ' ' A' ' 29' ' ' PRO . 11.1 m -122.28 169.14 11.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 110.391 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.64 HG22 HG23 ' A' ' 30' ' ' VAL . 5.2 m -142.17 159.2 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.5 m -112.8 135.35 53.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -140.34 99.16 3.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.25 -49.97 4.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -174.19 -40.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.302 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.419 ' CG ' ' N ' ' A' ' 27' ' ' LYS . 3.3 ttpm? -67.78 158.98 31.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.419 ' N ' ' CG ' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -118.68 105.44 11.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.574 ' O ' HG22 ' A' ' 21' ' ' VAL . 3.7 mp -92.18 122.49 64.78 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.459 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.2 Cg_endo -75.02 123.62 8.01 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.789 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.64 HG23 HG22 ' A' ' 21' ' ' VAL . 70.2 t -107.15 157.78 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.41 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -138.02 116.22 11.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.07 121.74 29.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 p -133.91 153.39 51.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 108.311 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.77 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -107.68 127.01 53.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.33 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.755 HG22 HD23 ' A' ' 40' ' ' LEU . 89.7 t -67.84 112.98 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -87.02 -43.64 12.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.52 147.47 31.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.409 ' HA3' ' CA ' ' A' ' 11' ' ' GLY . . . 78.22 -142.59 26.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.731 ' C ' HD22 ' A' ' 40' ' ' LEU . 8.0 pt20 -160.45 154.2 22.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 0.746 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.755 HD23 HG22 ' A' ' 35' ' ' VAL . 0.6 OUTLIER -115.18 123.32 48.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.552 ' HG3' HG22 ' A' ' 72' ' ' VAL . 1.1 tt0 -102.16 178.25 4.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.02 58.35 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.411 ' O ' ' O ' ' A' ' 44' ' ' LYS . 37.1 t-80 -175.8 -44.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.614 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 43' ' ' HIS . 32.1 mmtt -51.81 -176.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.559 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 1.2 mttt -101.03 155.26 18.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.559 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 25.2 m-85 -150.23 177.29 10.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.52 ' HD2' HD11 ' A' ' 49' ' ' ILE . 1.3 pttt -161.99 152.38 17.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.9 HD23 HG13 ' A' ' 55' ' ' ILE . 16.9 tp -104.08 118.27 36.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.872 HD13 HD13 ' A' ' 97' ' ' ILE . 2.8 mp -104.1 115.51 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 20.4 ttp85 -121.17 111.43 17.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.575 1.172 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 0.8 OUTLIER 78.42 1.0 2.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.23 -16.9 22.15 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -97.06 148.06 23.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 0.737 . . . . 0.0 110.335 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 t -87.74 136.55 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.257 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.9 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -109.07 -43.08 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 1.031 ' CG ' HD13 ' A' ' 83' ' ' LEU . 22.5 t90 -126.66 139.72 52.95 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.98 132.12 31.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.364 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 147.07 -162.42 28.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.6 m -96.72 148.12 23.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 0.724 . . . . 0.0 109.985 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.509 HD22 HD13 ' A' ' 81' ' ' LEU . 12.4 mt -72.67 163.09 28.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.352 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.69 HG21 ' HB2' ' A' ' 84' ' ' ASP . 76.4 p -110.34 -17.38 13.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.431 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -153.45 159.8 42.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.021 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.7 tp -169.13 106.43 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -117.15 156.3 27.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.363 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.501 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 3.0 t60 -109.99 71.5 0.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.645 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 75.6 -71.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.606 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.97 57.58 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -165.18 118.82 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -71.53 81.81 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.762 ' CG2' HD11 ' A' ' 73' ' ' ILE . 13.0 tt -93.85 171.33 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 41' ' ' GLU . 1.1 t -114.53 -37.46 4.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.97 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.552 HG22 ' HG3' ' A' ' 41' ' ' GLU . 21.2 t -117.11 151.64 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.762 HD11 ' CG2' ' A' ' 70' ' ' ILE . 17.5 mm -132.86 108.04 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -72.51 -174.58 1.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 92.0 m -77.35 146.7 36.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.56 -1.27 72.84 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.1 mmm -95.36 128.33 42.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.63 135.42 33.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 109.238 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.537 ' SG ' HG21 ' A' ' 73' ' ' ILE . 29.5 p -152.22 163.64 39.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.162 . . . . 0.0 108.3 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -124.44 134.04 8.92 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.565 HD21 HG21 ' A' ' 96' ' ' VAL . 4.4 pp -121.05 157.68 29.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 0.785 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 m -144.35 133.08 22.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.975 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.031 HD13 ' CG ' ' A' ' 56' ' ' TRP . 3.2 mt -90.17 140.22 29.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.69 ' HB2' HG21 ' A' ' 61' ' ' THR . 14.1 t70 -50.35 -24.93 3.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -87.69 133.65 33.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.327 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -94.03 -25.59 17.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.35 -44.37 80.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.711 HG11 HD12 ' A' ' 83' ' ' LEU . 9.7 p -64.97 124.44 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -116.5 137.77 51.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.553 ' HB3' HD13 ' A' ' 15' ' ' ILE . 0.9 OUTLIER -96.51 166.49 11.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 111.034 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -150.15 157.96 36.94 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 55.12 3.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.508 1.793 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.13 33.84 0.09 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -118.04 -168.61 1.54 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 9.4 mt-30 -147.42 148.06 30.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.663 ' HB ' ' HB3' ' A' ' 13' ' ' ALA . 2.5 t -120.44 99.13 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.872 HD13 HD13 ' A' ' 49' ' ' ILE . 1.2 mp -87.76 132.31 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.42 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 8.0 t -115.51 101.37 8.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.303 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -123.87 165.75 16.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.509 ' HB2' HD11 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -114.02 142.29 46.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 110.275 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -78.92 91.68 4.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 110.27 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -161.75 134.58 6.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.77 144.27 31.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.673 HG23 ' HD2' ' A' ' 105' ' ' PRO . 2.6 p -125.02 142.13 40.36 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.673 ' HD2' HG23 ' A' ' 104' ' ' VAL . 18.3 Cg_endo -75.0 112.84 3.66 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.518 1.799 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.2 t -147.43 147.81 30.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.371 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.14 -31.45 14.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.5 t -171.5 152.78 3.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.392 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.0 p -109.07 83.05 1.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.957 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -51.23 139.12 19.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 107.96 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -155.14 129.9 5.0 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.347 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.04 19.09 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.497 1.788 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 120.57 129.13 3.7 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.46 1.1 . . . . 0.0 110.965 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -163.97 111.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 0.782 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.4 t 50.06 86.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.029 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -121.76 101.44 0.76 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.47 1.106 . . . . 0.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -36.58 2.53 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.519 1.8 . . . . 0.0 111.048 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 52.82 93.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.36 130.69 43.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 0.0 110.961 179.926 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 t -91.17 87.54 6.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 t -58.17 140.99 51.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.014 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.94 142.55 9.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.146 . . . . 0.0 110.973 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.79 170.29 1.96 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 0.762 . . . . 0.0 109.984 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -134.12 106.43 7.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.04 154.34 16.78 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -55.97 154.87 13.19 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.555 0.797 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 128.85 11.79 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.466 1.772 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.6 mt -67.74 -38.17 79.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -177.72 144.02 6.39 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.464 1.102 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -104.71 171.13 7.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 0.739 . . . . 0.0 110.344 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.876 ' CB ' HD11 ' A' ' 40' ' ' LEU . . . -161.58 133.25 5.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 m -99.82 144.81 28.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.635 HD13 ' HB3' ' A' ' 90' ' ' PHE . 59.4 mt -90.34 118.47 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.633 HD11 ' HB2' ' A' ' 34' ' ' ARG . 7.9 mt -91.93 -40.11 11.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -143.86 159.17 43.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.483 HG22 ' CG2' ' A' ' 15' ' ' ILE . 24.7 p -142.91 134.72 26.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.401 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -152.12 -177.81 6.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.5 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.8 m -119.09 163.34 17.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.637 HG22 HG23 ' A' ' 30' ' ' VAL . 4.9 m -139.51 160.22 27.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.403 ' O ' ' OE1' ' A' ' 23' ' ' GLU . 10.0 m -101.88 133.14 47.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.402 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' A' ' 22' ' ' THR . 6.7 mm-40 -145.68 98.95 3.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.18 33.89 48.09 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.499 1.124 . . . . 0.0 111.051 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 74.61 15.41 3.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.456 ' HE3' HD11 ' A' ' 28' ' ' ILE . 3.2 mtmt -106.68 -179.68 4.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.588 ' C ' HD13 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -124.07 100.48 6.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.588 HD13 ' C ' ' A' ' 27' ' ' LYS . 2.7 mm -100.09 118.33 61.67 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.5 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.3 Cg_endo -75.0 130.89 13.7 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.637 HG23 HG22 ' A' ' 21' ' ' VAL . 76.5 t -120.85 157.57 23.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.946 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -138.27 116.81 12.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.09 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.66 111.28 21.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.5 p -122.6 145.43 48.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 108.319 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.633 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -103.92 119.94 39.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 110.273 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.575 HG21 HG22 ' A' ' 73' ' ' ILE . 47.9 t -60.99 116.77 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -92.67 -35.61 13.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -148.68 143.5 26.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.06 -147.14 49.0 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.563 1.165 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.488 ' NE2' HG11 ' A' ' 72' ' ' VAL . 9.9 pt20 -143.07 167.86 21.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.876 HD11 ' CB ' ' A' ' 13' ' ' ALA . 35.0 mt -116.63 122.61 45.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.524 ' HG2' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -78.83 178.6 7.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.424 ' HD2' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -110.66 -35.48 5.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -92.57 -36.37 13.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.562 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.43 ' CG ' ' CB ' ' A' ' 41' ' ' GLU . 26.7 mmtt -44.74 168.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.577 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 1.5 mptp? -91.84 154.82 18.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.577 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 23.3 m-85 -148.56 174.41 12.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.2 pttt -160.31 151.05 18.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.649 HD23 HG13 ' A' ' 55' ' ' ILE . 24.8 tp -104.09 119.75 39.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.737 HD12 ' N ' ' A' ' 49' ' ' ILE . 2.3 mp -107.2 116.13 50.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 27.8 ttp85 -121.52 112.12 18.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 4.3 t30 78.16 1.36 2.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.75 -15.03 26.75 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -95.95 149.11 21.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 0.726 . . . . 0.0 110.277 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 t -90.49 132.43 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.649 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -105.98 -41.9 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.985 ' CG ' HD13 ' A' ' 83' ' ' LEU . 71.5 t90 -125.42 138.01 54.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 108.001 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.38 113.59 9.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 168.28 -152.36 20.35 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.74 146.24 36.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.777 . . . . 0.0 110.013 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.991 HD22 HD13 ' A' ' 81' ' ' LEU . 18.8 mt -64.84 154.67 36.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.6 p -92.3 -27.05 17.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.422 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.9 m -158.33 176.83 11.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.97 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.424 ' N ' ' HD2' ' A' ' 42' ' ' ARG . 3.9 tp -176.23 107.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -116.08 153.32 31.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.505 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 2.1 t60 -104.39 59.27 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.609 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.49 ' CB ' ' O ' ' A' ' 65' ' ' HIS . 24.8 t-80 86.27 -65.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.635 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -152.5 73.55 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 174.94 151.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.32 82.65 2.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.418 ' CG2' HD11 ' A' ' 73' ' ' ILE . 9.2 tt -97.13 162.14 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.0 p -92.2 -58.4 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.524 HG12 ' HG2' ' A' ' 41' ' ' GLU . 15.2 m -105.04 167.02 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.575 HG22 HG21 ' A' ' 35' ' ' VAL . 23.5 mm -132.48 101.62 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -54.02 177.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.258 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.2 m -74.56 150.33 39.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.373 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.54 -1.96 59.79 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.1 mmm -89.1 135.66 33.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 0.736 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.11 124.22 45.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 30.9 p -141.98 161.25 38.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 108.277 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -125.66 123.89 5.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.991 HD13 HD22 ' A' ' 60' ' ' LEU . 4.6 pp -112.91 169.41 8.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.3 p -146.61 153.89 40.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.014 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.985 HD13 ' CG ' ' A' ' 56' ' ' TRP . 11.7 mt -106.34 143.49 34.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -53.6 -22.47 8.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -94.85 134.49 37.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -90.6 -32.85 16.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.347 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.92 -45.71 51.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.616 HG21 ' HB2' ' A' ' 56' ' ' TRP . 9.3 p -65.96 130.72 31.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -128.19 131.87 48.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.946 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 1.6 m-85 -81.69 150.69 27.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -133.15 155.41 81.01 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 55.02 3.82 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.543 1.812 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.88 33.88 0.08 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -121.81 -175.76 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.789 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -133.59 155.61 49.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.426 ' C ' HD12 ' A' ' 97' ' ' ILE . 21.2 t -133.51 99.01 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.637 ' N ' HD12 ' A' ' 97' ' ' ILE . 1.3 mp -88.44 122.39 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.496 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 31.8 t -105.98 98.6 8.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.299 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -133.08 176.09 8.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.43 129.28 52.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -58.75 6.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -82.28 148.21 28.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.14 87.46 3.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.7 m -70.58 153.13 95.16 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 152.7 41.0 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.461 1.769 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.6 t -125.56 165.29 18.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.372 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -143.11 144.2 32.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.3 m 46.95 79.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.393 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 46.3 t -147.06 117.18 7.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.977 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 6.5 t-105 -165.35 100.54 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.14 154.23 37.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -42.34 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 49.83 -163.69 0.66 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -132.77 -52.92 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 0.785 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.89 90.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -162.16 -160.47 11.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.62 42.71 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.514 1.797 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 68.0 p -165.41 113.37 0.98 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.975 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.88 153.61 40.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.97 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.526 1.142 . . . . 0.0 111.0 179.97 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.76 -58.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.78 . . . . 0.0 109.974 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.8 138.54 57.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.007 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.34 101.17 0.57 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.125 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.61 117.37 9.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 0.763 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -176.56 -57.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.943 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.14 149.3 0.58 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -100.94 155.15 36.64 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.565 0.803 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 127.73 10.92 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.511 1.795 . . . . 0.0 111.026 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.428 ' N ' ' O ' ' A' ' 98' ' ' CYS . 70.0 mt -68.99 -42.35 82.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 177.84 144.42 5.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.564 1.165 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -100.64 164.74 11.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.585 ' CB ' HD11 ' A' ' 40' ' ' LEU . . . -158.73 134.24 8.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.2 m -100.94 149.69 23.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.006 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.669 HD13 ' HB3' ' A' ' 90' ' ' PHE . 53.2 mt -91.98 119.59 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.712 HD11 ' HB2' ' A' ' 34' ' ' ARG . 10.6 mt -91.43 -36.4 13.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.26 163.15 39.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.417 HG22 ' CG2' ' A' ' 15' ' ' ILE . 19.1 p -142.38 138.69 31.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.445 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -155.26 -177.87 6.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 m -117.4 165.5 13.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.409 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 28' ' ' ILE . 6.7 m -136.3 158.45 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.3 m -116.32 136.99 52.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.383 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -141.97 99.3 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 110.316 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.24 -48.09 3.98 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.41 -39.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.65 175.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.03 106.08 7.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.698 HD12 ' N ' ' A' ' 28' ' ' ILE . 3.0 mp -97.21 127.66 37.72 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 28' ' ' ILE . 18.4 Cg_endo -74.95 142.74 28.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.517 HG23 HG22 ' A' ' 21' ' ' VAL . 56.0 t -132.09 152.29 36.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.815 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -132.55 115.18 15.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.75 116.8 22.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.7 p -127.92 145.12 51.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 108.283 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.712 ' HB2' HD11 ' A' ' 16' ' ' LEU . 1.6 tpt180 -105.66 115.75 30.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.58 HG21 HG22 ' A' ' 73' ' ' ILE . 86.9 t -56.31 118.65 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 109.326 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -93.45 -37.08 12.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -144.62 147.13 32.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.08 -146.29 45.55 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.45 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 8.3 pt20 -143.83 170.78 15.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 0.777 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.585 HD11 ' CB ' ' A' ' 13' ' ' ALA . 16.8 mt -116.03 122.75 46.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.51 ' O ' HD22 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -75.5 171.14 14.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.412 1.07 . . . . 0.0 110.325 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.542 ' O ' ' CB ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -111.13 122.53 48.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 110.282 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.542 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 2.0 t60 90.41 -24.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.566 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.465 ' HG3' ' CB ' ' A' ' 41' ' ' GLU . 37.0 mmtt -49.92 179.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.574 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 5.8 mptt -90.53 141.49 28.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.574 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 21.8 m-85 -148.03 179.11 7.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -162.22 152.03 16.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.833 HD23 HG13 ' A' ' 55' ' ' ILE . 28.8 tp -104.21 121.31 43.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.777 HD12 ' N ' ' A' ' 49' ' ' ILE . 1.8 mp -110.85 113.06 43.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 21.2 ttm180 -119.96 113.47 20.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.26 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 7.8 m-20 77.66 1.27 2.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.08 -14.95 28.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -94.91 149.24 21.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 0.785 . . . . 0.0 110.296 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.5 t -92.25 126.36 44.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.833 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -99.87 -41.85 9.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.779 ' CG ' HD13 ' A' ' 83' ' ' LEU . 59.8 t90 -128.3 135.88 50.22 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.95 115.93 11.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 169.19 -145.4 9.38 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.42 141.2 48.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 0.736 . . . . 0.0 109.996 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.994 HD22 HD13 ' A' ' 81' ' ' LEU . 67.1 mt -59.25 168.55 1.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.9 p -108.21 -23.17 12.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.384 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -167.38 156.16 9.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.51 HD22 ' O ' ' A' ' 41' ' ' GLU . 14.9 tp -155.33 105.09 2.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -115.25 162.09 17.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.514 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 3.5 t60 -112.76 62.11 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.608 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 75.19 -72.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.617 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -146.06 74.59 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.168 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 169.97 116.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.07 81.94 0.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.9 tt -95.81 160.11 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.25 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.79 -58.69 2.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.469 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 10.3 m -102.82 163.46 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.58 HG22 HG21 ' A' ' 35' ' ' VAL . 28.6 mm -128.08 101.63 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -58.14 176.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.3 m -73.43 145.15 45.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.94 -11.64 56.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.135 . . . . 0.0 110.961 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.432 ' SD ' ' CE1' ' A' ' 65' ' ' HIS . 2.6 mmm -83.23 128.68 34.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.65 127.62 38.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 27.1 p -141.23 159.71 41.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 108.318 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -126.54 121.4 4.01 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.547 1.155 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.994 HD13 HD22 ' A' ' 60' ' ' LEU . 4.5 pp -109.91 168.07 9.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 0.788 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 29.3 t -144.81 150.53 37.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.779 HD13 ' CG ' ' A' ' 56' ' ' TRP . 5.4 mt -103.39 148.03 26.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -63.12 -21.99 66.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -99.86 77.32 2.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.14 -27.0 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -48.79 -47.91 41.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.745 HG11 ' HB2' ' A' ' 56' ' ' TRP . 44.9 t -65.35 127.04 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -116.17 135.44 53.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.343 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.815 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -87.7 162.8 16.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 111.042 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -143.67 156.6 59.59 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 54.8 3.74 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.501 1.79 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -177.54 34.27 0.08 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.549 1.156 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.08 -168.14 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 0.73 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' ILE . 16.5 mt-30 -143.2 153.87 43.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.508 ' C ' HD12 ' A' ' 97' ' ' ILE . 24.7 t -133.97 99.46 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.64 ' N ' HD12 ' A' ' 97' ' ' ILE . 1.3 mp -92.78 113.68 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.464 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 34.2 t -92.95 120.79 33.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 108.292 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -143.58 175.0 10.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -131.52 134.37 46.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.348 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -83.0 86.61 6.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -159.64 166.22 31.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.63 118.99 20.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.471 HG23 ' HD2' ' A' ' 105' ' ' PRO . 2.2 p -162.42 137.03 5.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.471 ' HD2' HG23 ' A' ' 104' ' ' VAL . 18.4 Cg_endo -74.95 148.37 35.43 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.6 p -122.26 106.07 10.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -82.03 -58.03 3.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 48.3 m 43.36 80.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.376 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.83 80.91 1.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.995 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -128.61 153.65 47.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 108.0 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -155.34 140.2 12.04 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 153.76 42.01 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.453 1.765 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 142.53 135.89 3.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.536 1.148 . . . . 0.0 110.955 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 53.35 175.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 0.766 . . . . 0.0 110.994 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.5 m 62.06 113.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.976 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -142.54 -158.72 7.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.449 1.093 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 161.92 37.92 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 30.5 t -173.18 153.05 2.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 67.6 m -142.51 152.04 42.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 55.42 81.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 110.0 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.1 t -154.18 93.62 1.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.001 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.29 105.99 0.2 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.23 123.62 45.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 0.779 . . . . 0.0 109.997 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.7 p -137.23 139.12 40.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.29 -175.01 46.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.526 1.142 . . . . 0.0 111.026 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -122.15 154.37 61.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 131.49 14.35 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.491 1.785 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.7 mt -73.43 -42.41 56.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -172.1 146.3 9.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -108.32 163.5 13.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.62 131.0 15.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.56 139.54 33.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 110.04 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.647 HD13 ' HB3' ' A' ' 90' ' ' PHE . 42.7 mt -85.17 118.98 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.748 HD11 ' HB2' ' A' ' 34' ' ' ARG . 9.1 mt -92.21 -39.95 11.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -143.27 152.62 41.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.616 HG21 ' CA ' ' A' ' 91' ' ' LYS . 29.9 p -133.96 138.43 45.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.418 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 7.2 p90 -161.45 178.48 9.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.078 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.544 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.8 m -116.14 163.03 16.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.528 HG22 HG23 ' A' ' 30' ' ' VAL . 3.2 m -130.35 161.3 40.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.8 m -121.39 137.17 54.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.369 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.628 ' HG3' HD13 ' A' ' 28' ' ' ILE . 2.4 mt-10 -138.34 99.31 3.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.34 -51.07 4.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -170.56 -44.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 0.761 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 163.35 9.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.92 107.44 11.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.628 HD13 ' HG3' ' A' ' 23' ' ' GLU . 3.5 mp -93.2 135.95 25.05 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.544 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.3 Cg_endo -74.99 147.53 34.08 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.799 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.528 HG23 HG22 ' A' ' 21' ' ' VAL . 51.5 t -143.07 156.03 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.77 ' HB2' ' CG ' ' A' ' 90' ' ' PHE . . . -141.18 115.27 9.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -82.75 102.98 11.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.2 p -113.26 163.68 14.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 108.304 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.748 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -126.25 121.33 32.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.407 HG22 ' HG ' ' A' ' 40' ' ' LEU . 89.5 t -61.29 108.87 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -86.97 -40.86 14.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.54 138.97 38.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.9 -148.73 41.89 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.448 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 11.7 pt20 -146.47 172.26 13.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.783 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.407 ' HG ' HG22 ' A' ' 35' ' ' VAL . 70.4 mt -117.23 124.72 49.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -107.95 123.85 49.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.476 ' CG ' ' HB3' ' A' ' 63' ' ' LEU . 0.8 OUTLIER -71.06 75.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 110.296 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -178.5 -48.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.594 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -55.63 -170.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.598 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 1.2 mttm -102.8 165.91 10.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.598 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 18.9 m-85 -149.68 169.73 20.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.773 ' HD2' HD11 ' A' ' 49' ' ' ILE . 4.2 pttt -163.07 151.53 14.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.66 ' C ' HD12 ' A' ' 49' ' ' ILE . 24.0 tp -104.38 122.82 46.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.773 HD11 ' HD2' ' A' ' 47' ' ' LYS . 1.7 mp -107.34 122.19 61.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.454 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 24.8 ttm180 -127.36 111.61 14.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 11.4 t-20 79.1 -0.65 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.08 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.8 -13.15 22.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -99.44 148.08 24.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.74 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.5 t -86.21 136.32 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.359 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.61 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -110.29 -43.23 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.73 ' HB2' HG21 ' A' ' 88' ' ' VAL . 66.1 t90 -126.82 135.33 50.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 107.986 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.79 129.64 28.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 153.53 -159.57 28.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.4 p -101.05 159.44 15.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 0.743 . . . . 0.0 109.965 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.523 ' HG ' ' CD1' ' A' ' 46' ' ' PHE . 88.6 mt -81.67 163.73 22.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 25.7 p -109.56 -23.78 11.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -160.99 156.5 24.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.476 ' HB3' ' CG ' ' A' ' 42' ' ' ARG . 1.2 tp -165.62 128.82 2.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -138.7 146.53 41.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -86.46 -57.31 3.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.57 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 67' ' ' LYS . 11.5 t-160 -177.45 115.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.607 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 66' ' ' HIS . 0.1 OUTLIER 39.24 34.75 0.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.28 124.63 4.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.243 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -82.03 80.97 8.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.572 ' CG2' HD11 ' A' ' 73' ' ' ILE . 10.4 tt -90.17 166.38 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.6 t -115.98 -38.47 3.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.009 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.2 t -106.59 143.58 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.572 HD11 ' CG2' ' A' ' 70' ' ' ILE . 46.1 mm -127.49 114.88 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -73.11 -177.88 2.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 43.5 m -78.34 143.96 36.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.373 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.96 3.6 88.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.3 mmm -97.4 129.83 44.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.783 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.41 138.23 31.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 27.0 p -153.36 160.9 42.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 108.306 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -121.16 134.78 10.31 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 pp -121.39 161.81 21.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.776 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.2 p -138.8 143.7 39.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.018 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.659 HD22 ' CE3' ' A' ' 56' ' ' TRP . 8.8 mt -98.74 143.33 29.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.64 -45.82 90.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 86' ' ' GLU . 8.8 tp10 -44.79 -63.6 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.532 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER 88.88 -17.69 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.254 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.34 -25.3 27.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.73 HG21 ' HB2' ' A' ' 56' ' ' TRP . 94.9 t -78.85 106.87 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -91.42 137.5 32.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.77 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 1.6 m-85 -86.79 -178.13 6.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.616 ' CA ' HG21 ' A' ' 18' ' ' THR . 0.1 OUTLIER -165.1 155.15 11.94 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 93.34 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.538 1.809 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 151.3 -20.58 0.94 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.437 ' OD1' ' CG ' ' A' ' 91' ' ' LYS . 70.8 m-20 -67.69 -175.12 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -137.8 160.19 39.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.412 ' C ' HD12 ' A' ' 97' ' ' ILE . 24.8 t -137.47 100.0 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.637 ' N ' HD12 ' A' ' 97' ' ' ILE . 1.3 mp -87.9 115.08 27.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.2 t -96.12 98.22 10.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 108.328 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -140.65 173.48 11.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -123.42 148.56 46.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -75.02 159.61 31.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 63.33 165.59 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -135.63 127.99 30.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.411 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 2.5 p -87.83 134.6 35.1 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 104' ' ' VAL . 18.6 Cg_endo -74.98 93.6 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.786 . . . . 0.0 111.053 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.8 t -109.74 -23.22 11.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.434 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.83 175.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.9 p -137.97 136.38 36.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.113 . . . . 0.0 110.396 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.9 t -133.7 108.52 8.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.022 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -122.27 94.44 4.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 107.986 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.78 145.15 44.54 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -47.23 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 66.36 -106.67 1.68 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.14 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 114' ' ' PHE . 9.1 p90 -170.48 168.77 7.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.756 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.76 166.08 33.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.973 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 129.15 79.78 0.24 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.05 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 130.04 12.92 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.794 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.7 t -135.14 84.28 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.017 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.9 m -139.54 135.43 33.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.531 1.144 . . . . 0.0 111.024 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 4' ' ' GLY . 1.4 t 53.83 91.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 0.796 . . . . 0.0 110.018 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -62.03 83.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.018 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 2' ' ' SER . . . -160.85 137.55 5.02 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -144.94 134.27 22.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 0.0 110.018 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 m -146.36 66.25 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 110.025 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.737 ' O ' ' CG ' ' A' ' 8' ' ' TYR . . . 39.76 54.72 2.86 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.737 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 5.0 p90 48.92 163.08 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.554 0.797 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 123.13 7.66 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.985 HD12 ' HA ' ' A' ' 99' ' ' TYR . 4.2 mt -67.35 -46.95 82.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -152.03 137.94 6.21 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.421 ' HG2' HD12 ' A' ' 97' ' ' ILE . 6.4 mp0 -117.27 121.25 40.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 0.736 . . . . 0.0 110.257 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.488 ' HB2' HD11 ' A' ' 40' ' ' LEU . . . -111.05 151.35 28.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.0 132.26 53.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.701 HD13 ' HB3' ' A' ' 90' ' ' PHE . 71.7 mt -75.9 119.6 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.678 HD11 ' CB ' ' A' ' 34' ' ' ARG . 8.8 mt -95.33 -35.39 11.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.23 155.65 43.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.682 HG21 ' CA ' ' A' ' 91' ' ' LYS . 42.8 p -137.27 141.57 41.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.428 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.639 ' CE1' ' CG1' ' A' ' 30' ' ' VAL . 13.3 p90 -158.79 179.0 9.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.549 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.5 m -125.19 163.55 22.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.387 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.67 HG22 HG23 ' A' ' 30' ' ' VAL . 7.0 m -139.62 158.18 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.3 m -107.8 137.89 45.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.37 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.43 ' HG3' ' CG1' ' A' ' 28' ' ' ILE . 1.2 mm-40 -134.03 99.05 4.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.06 -50.87 4.01 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.477 1.11 . . . . 0.0 111.014 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -169.71 -42.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 0.781 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.642 ' HE3' HD11 ' A' ' 28' ' ' ILE . 23.8 ttpt -71.27 163.0 28.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.463 ' N ' ' CG ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -108.8 127.53 54.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.642 HD11 ' HE3' ' A' ' 26' ' ' LYS . 26.6 mm -104.72 125.25 34.42 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.549 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.4 Cg_endo -75.0 122.7 7.37 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.67 HG23 HG22 ' A' ' 21' ' ' VAL . 78.9 t -113.28 158.03 13.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.74 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -143.52 123.41 13.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.92 120.06 37.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.6 p -131.58 149.36 52.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 108.287 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.678 ' CB ' HD11 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -111.97 120.83 43.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.48 HG21 HG22 ' A' ' 73' ' ' ILE . 75.7 t -56.12 109.6 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -86.75 -41.78 13.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -144.6 135.0 24.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.69 -156.43 36.68 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -141.09 165.38 27.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.488 HD11 ' HB2' ' A' ' 13' ' ' ALA . 72.5 mt -117.2 124.73 49.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.254 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -110.72 142.71 42.27 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.52 1.137 . . . . 0.0 110.247 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.75 68.56 7.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.352 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -169.53 -54.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.611 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -53.46 176.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.477 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 0.5 OUTLIER -94.66 172.14 8.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' A' ' 45' ' ' LYS . 45.0 m-85 -147.78 174.35 11.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.404 ' CE ' ' HB ' ' A' ' 97' ' ' ILE . 5.0 pttt -161.94 144.83 11.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.741 HD23 HG13 ' A' ' 55' ' ' ILE . 14.1 tp -104.17 112.81 25.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.66 HD12 ' N ' ' A' ' 49' ' ' ILE . 2.7 mp -102.29 120.7 52.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.455 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 8.9 ttm180 -125.95 111.58 14.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 4.6 t30 78.91 1.52 2.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.99 -14.47 26.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -99.79 148.19 24.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.3 t -86.71 137.67 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.741 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -111.89 -41.9 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.921 ' CG ' HD13 ' A' ' 83' ' ' LEU . 38.1 t90 -131.66 138.45 48.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 107.957 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.27 137.55 39.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 142.86 -162.64 27.43 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.488 1.118 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.0 m -98.65 156.25 16.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.768 . . . . 0.0 110.044 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.2 mt -82.04 160.27 23.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.9 p -95.32 -17.14 21.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.388 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.9 m -161.03 167.39 26.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.009 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.3 tp -169.92 106.57 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -120.48 169.29 10.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.518 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 1.4 t60 -109.23 64.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.558 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 78.55 -61.11 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.572 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -153.72 61.0 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -171.24 125.7 0.64 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.75 82.86 3.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.609 HG21 HD11 ' A' ' 73' ' ' ILE . 7.1 tt -95.98 169.68 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.6 t -117.28 -37.21 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.982 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.1 t -120.91 137.21 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.609 HD11 HG21 ' A' ' 70' ' ' ILE . 9.9 mm -116.07 128.01 73.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -85.36 177.13 7.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.1 m -75.71 140.93 42.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.375 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.415 ' HA2' ' NE ' ' A' ' 34' ' ' ARG . . . 84.63 -4.2 85.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.2 mmm -93.79 130.94 39.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 111.029 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.419 ' O ' ' ND1' ' A' ' 65' ' ' HIS . 3.1 m-20 -83.38 144.49 29.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 10.1 p -157.62 154.35 28.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 108.291 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -118.48 144.59 18.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.555 1.16 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.1 pp -139.38 164.25 30.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 43.8 p -149.75 146.51 27.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.011 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.921 HD13 ' CG ' ' A' ' 56' ' ' TRP . 3.5 mt -99.13 138.66 35.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -47.35 -29.65 2.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -85.26 134.93 34.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.345 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.88 -22.81 17.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.332 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -57.7 -45.09 86.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.639 ' CG1' HD12 ' A' ' 83' ' ' LEU . 8.9 p -68.55 126.32 28.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.36 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.421 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 19.7 tt0 -121.47 132.7 54.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.74 ' CD2' ' HB2' ' A' ' 31' ' ' ALA . 1.5 m-85 -82.95 -179.57 7.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.682 ' CA ' HG21 ' A' ' 18' ' ' THR . 16.3 mtmt -166.48 157.16 11.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 54.61 3.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.513 1.797 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.74 33.34 0.08 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 0.4 OUTLIER -116.3 -168.0 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -145.85 145.78 30.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.274 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 18.2 t -129.42 98.28 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.421 HD12 ' HG2' ' A' ' 12' ' ' GLU . 21.9 mm -88.75 126.59 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 8.4 t -108.66 100.34 9.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 108.329 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.985 ' HA ' HD12 ' A' ' 10' ' ' ILE . 41.8 p90 -118.65 176.72 5.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.437 ' CG ' HD11 ' A' ' 10' ' ' ILE . 10.0 pt-20 -126.91 125.05 40.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.331 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.4 124.38 28.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.471 ' HB3' HG13 ' A' ' 104' ' ' VAL . 1.2 t-20 -175.34 158.45 2.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -93.08 66.29 4.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.471 HG13 ' HB3' ' A' ' 102' ' ' ASN . 34.9 m -76.75 155.0 83.37 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 109.37 2.92 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.549 1.815 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.2 p -47.64 110.17 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.388 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -124.9 128.54 48.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 58.4 p -140.17 154.27 46.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.428 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.2 t -177.21 124.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.034 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -167.88 123.8 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 107.991 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -115.74 104.35 52.91 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 175.59 11.04 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.802 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -168.51 147.26 11.17 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -142.95 155.69 44.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 0.783 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.66 135.52 13.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 150.7 113.09 0.59 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 177.86 8.0 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.511 1.795 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 10.3 p -115.34 170.39 8.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.133 . . . . 0.0 110.003 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 64.9 139.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.048 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.494 1.122 . . . . 0.0 110.981 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.99 -58.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 0.754 . . . . 0.0 110.051 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 t -161.43 127.22 3.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.04 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.75 145.33 17.18 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.546 1.154 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.91 107.26 6.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 0.0 109.978 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -115.26 92.25 3.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.0 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.42 -178.98 39.47 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.467 1.104 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -109.28 156.86 38.64 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 110.958 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 124.6 8.76 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.53 1.805 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.0 mt -73.9 -45.91 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -168.97 152.37 19.95 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.411 ' CG ' HD12 ' A' ' 97' ' ' ILE . 1.4 mp0 -112.75 126.75 55.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 0.734 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.43 164.9 12.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.19 130.25 40.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.964 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.801 HD13 ' HB3' ' A' ' 90' ' ' PHE . 30.0 mt -73.98 115.47 15.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.622 HD11 ' HB2' ' A' ' 34' ' ' ARG . 23.6 mt -89.9 -35.92 15.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -148.45 158.33 44.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.527 HG21 ' CA ' ' A' ' 91' ' ' LYS . 25.9 p -140.45 141.22 35.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -160.91 177.04 10.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.495 HG23 ' HA ' ' A' ' 29' ' ' PRO . 1.7 m -115.04 163.37 15.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.384 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.598 HG22 ' O ' ' A' ' 28' ' ' ILE . 6.0 m -134.02 158.96 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.8 m -116.84 135.88 53.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.453 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.497 ' HG3' HD13 ' A' ' 28' ' ' ILE . 2.2 mm-40 -138.71 99.31 3.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.9 -49.17 4.03 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -173.14 -44.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.77 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 170.74 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.96 103.31 6.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.598 ' O ' HG22 ' A' ' 21' ' ' VAL . 3.3 mp -90.3 129.31 45.96 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.495 ' HA ' HG23 ' A' ' 20' ' ' THR . 18.3 Cg_endo -75.0 140.57 25.61 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.527 HG23 HG22 ' A' ' 21' ' ' VAL . 42.2 t -129.26 147.82 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.863 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -133.23 114.07 13.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.76 117.47 23.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.8 p -129.65 151.6 50.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 108.328 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.622 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -114.59 124.05 50.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.047 HG22 HD13 ' A' ' 40' ' ' LEU . 79.4 t -63.33 104.11 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -80.12 -41.21 25.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -137.4 146.84 44.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.581 1.175 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.25 -128.56 11.72 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.533 1.146 . . . . 0.0 111.032 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.742 ' HA ' HG11 ' A' ' 35' ' ' VAL . 6.3 pt20 -161.1 164.68 30.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 0.727 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.047 HD13 HG22 ' A' ' 35' ' ' VAL . 4.8 mp -114.1 123.97 50.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.865 ' O ' HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -96.21 -179.99 4.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.13 -35.75 6.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.275 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -90.06 -43.85 10.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.578 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -41.02 157.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -84.56 166.72 16.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.56 ' CD1' ' HG ' ' A' ' 60' ' ' LEU . 91.0 m-85 -151.6 178.27 9.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.485 ' HE2' ' CE1' ' A' ' 99' ' ' TYR . 3.0 pttt -163.64 148.29 10.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.576 ' C ' HD12 ' A' ' 49' ' ' ILE . 35.7 tp -103.78 119.61 39.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.719 HD12 ' N ' ' A' ' 49' ' ' ILE . 2.0 mp -104.98 123.93 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 16.6 ttm180 -131.81 111.86 11.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 1.4 t-20 81.98 -1.22 1.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.63 -10.79 28.01 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.494 1.121 . . . . 0.0 110.934 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -104.14 147.87 26.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 0.79 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 t -83.31 140.81 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.504 HG13 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -114.32 -41.5 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.826 ' CG ' HD13 ' A' ' 83' ' ' LEU . 63.9 t90 -126.43 138.17 53.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.014 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.427 ' CD ' ' N ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -138.04 133.42 33.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 149.83 -140.89 8.37 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 p -124.22 149.22 46.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.762 . . . . 0.0 110.015 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.723 ' CD2' HD13 ' A' ' 81' ' ' LEU . 25.8 mt -69.17 154.8 41.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 82.7 p -91.86 -19.0 22.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.39 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.9 m -167.21 158.05 11.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.865 HD22 ' O ' ' A' ' 41' ' ' GLU . 15.4 tp -156.64 102.87 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -114.48 142.1 46.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -90.08 -70.47 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.565 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 67' ' ' LYS . 22.8 t-160 -173.58 118.55 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.642 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' HIS . 0.0 OUTLIER 39.85 42.36 1.02 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.44 111.34 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -70.85 80.6 0.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.137 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.431 ' CG2' HD11 ' A' ' 73' ' ' ILE . 17.1 tt -88.32 163.15 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.4 t -114.93 -33.81 5.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.945 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.0 t -111.3 145.11 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.431 HD11 ' CG2' ' A' ' 70' ' ' ILE . 6.7 mm -129.22 113.51 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -70.2 173.75 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.8 m -72.1 131.41 42.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.7 2.12 63.3 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.9 mmm -101.55 134.56 44.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 0.782 . . . . 0.0 111.015 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -86.79 149.59 24.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 12.2 p -163.23 154.08 16.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 108.328 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -118.26 133.87 10.63 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.723 HD13 ' CD2' ' A' ' 60' ' ' LEU . 4.6 pp -125.58 160.68 28.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.6 m -145.3 134.55 22.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.826 HD13 ' CG ' ' A' ' 56' ' ' TRP . 6.0 mt -87.23 144.02 27.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -57.16 -20.56 27.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -95.24 131.72 40.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -90.01 -26.83 20.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.278 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.4 mtmm -53.91 -45.8 71.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.637 ' CG1' HD12 ' A' ' 83' ' ' LEU . 9.3 p -66.96 135.25 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -128.88 138.28 51.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.863 ' CD2' ' HB2' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -91.0 -176.02 4.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.977 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.527 ' CA ' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -174.07 158.37 2.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 18.2 Cg_endo -75.02 55.47 3.97 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.532 1.806 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.47 34.23 0.09 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -124.2 -178.95 4.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -130.94 151.47 51.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.4 t -127.97 99.31 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.411 HD12 ' CG ' ' A' ' 12' ' ' GLU . 20.5 mm -88.83 116.52 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.544 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 10.5 t -97.64 98.72 10.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 108.342 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.485 ' CE1' ' HE2' ' A' ' 47' ' ' LYS . 18.9 p90 -121.07 160.08 24.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.932 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -122.75 128.9 51.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.75 98.66 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -175.43 139.85 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -84.94 140.19 31.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.647 HG23 ' HD2' ' A' ' 105' ' ' PRO . 3.0 p -169.47 142.33 2.11 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.647 ' HD2' HG23 ' A' ' 104' ' ' VAL . 18.3 Cg_endo -74.98 169.74 21.96 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 110.953 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 32.2 p -72.67 131.66 42.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.422 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.03 149.88 25.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 68.8 m -128.49 145.95 50.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.431 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.38 -57.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER 61.87 98.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 107.964 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -166.38 140.86 3.56 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -42.12 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.471 1.774 . . . . 0.0 111.024 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 147.91 108.64 0.52 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 52.52 94.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.13 159.13 16.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -146.3 97.21 0.18 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 79.33 2.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.798 . . . . 0.0 110.939 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 9.6 t -53.01 138.69 29.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.1 m -106.79 154.62 20.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.99 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.999 . . . . . . . . 0 0 . 1 stop_ save_