data_2rn7_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 2rn7 _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 10' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 . . . . . 0 C--O 1.233 0.196 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 88.0 t -63.25 -39.77 86.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.983 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -63.15 -49.74 73.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.69 0.281 . . . . 0.0 110.734 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -63.52 -42.17 98.47 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.837 0.351 . . . . 0.0 110.634 -178.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -65.33 -37.07 85.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.108 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.529 ' O ' HG21 ' A' ' 19' ' ' VAL . . . -60.92 -54.24 47.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.698 177.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.89 -35.45 60.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.586 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.7 ttt-85 -63.15 -49.19 75.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.246 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 51.3 ttm -61.39 -32.36 72.28 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.911 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.529 HG21 ' O ' ' A' ' 15' ' ' ALA . 84.1 t -61.29 -47.67 92.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.101 175.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.73 -43.11 94.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.388 178.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -53.32 -42.02 66.27 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.387 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.5 ' HB2' HG22 ' A' ' 32' ' ' THR . 15.9 m -85.04 -14.88 45.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.708 -177.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' A' ' 19' ' ' VAL . 56.3 mt-30 -72.82 -25.74 61.24 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.995 0.426 . . . . 0.0 110.391 174.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.89 -37.17 94.46 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.365 171.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -82.4 -52.97 6.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.959 0.409 . . . . 0.0 110.737 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -106.67 123.73 48.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.337 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -86.77 -12.08 49.14 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.175 0.512 . . . . 0.0 110.257 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.9 m -85.94 106.97 17.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.887 175.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -56.27 -41.84 76.48 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.83 -171.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 6.6 m0 -63.01 -42.48 99.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.995 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.53 -40.56 87.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.175 0.512 . . . . 0.0 110.454 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.5 HG22 ' HB2' ' A' ' 22' ' ' SER . 19.8 m -63.92 -57.87 8.46 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.981 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.431 HG22 HD23 ' A' ' 47' ' ' LEU . 74.7 mt -63.28 -45.0 99.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.034 -173.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.1 t -64.85 -23.95 67.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.903 -174.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.0 m -89.86 -27.34 19.98 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.698 0.258 . . . . 0.0 111.698 -176.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.8 mt -85.4 -35.34 9.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.645 0.259 . . . . 0.0 111.601 -175.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.532 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -49.91 -52.35 52.95 Favored Pre-proline 0 CA--C 1.543 0.699 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -175.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.532 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.7 Cg_exo -66.7 -11.54 32.32 Favored 'Trans proline' 0 C--N 1.359 1.129 0 C-N-CA 122.428 2.085 . . . . 0.0 113.245 -176.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -85.9 -39.12 17.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.105 0.478 . . . . 0.0 110.737 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 62.8 mt -85.64 -29.77 6.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.583 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.11 47.64 1.22 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.796 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 14.7 p -145.99 172.9 12.7 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.3 p -92.62 148.65 36.61 Favored Pre-proline 0 C--N 1.321 -0.635 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.472 176.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.5 -31.99 95.5 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.49 2.127 . . . . 0.0 111.532 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.495 ' O ' HG21 ' A' ' 49' ' ' VAL . 30.1 mt-10 -63.5 -45.61 89.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.637 178.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.8 m -71.92 -39.35 69.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.619 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.431 HD23 HG22 ' A' ' 33' ' ' ILE . 44.2 tp -62.24 -37.81 86.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.304 178.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -61.55 -41.94 98.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.511 176.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.495 HG21 ' O ' ' A' ' 45' ' ' GLU . 95.4 t -62.06 -42.0 93.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.775 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 42.5 m0 -60.62 -43.64 97.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.095 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 47' ' ' LEU . 62.1 t -64.47 -42.37 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.475 178.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -65.46 -39.83 92.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.673 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -67.89 -38.06 82.53 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -68.23 -19.35 64.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.56 178.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 . . . . . 0 C--N 1.324 -0.508 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 173.101 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 . . . . . 0 C--O 1.233 0.197 0 N-CA-C 111.565 0.209 . . . . 0.0 111.565 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 81.8 t -58.72 -34.89 53.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 121.325 0.584 . . . . 0.0 110.047 176.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.472 ' O ' HG22 ' A' ' 16' ' ' VAL . 45.7 ttp180 -61.76 -49.3 76.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.39 178.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -61.4 -41.74 97.61 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.568 178.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.479 ' O ' ' HG2' ' A' ' 18' ' ' MET . 26.0 ttt-85 -59.6 -43.0 93.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.311 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.457 ' HB3' HD13 ' A' ' 40' ' ' ILE . . . -61.51 -42.84 99.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.962 178.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.515 HG23 ' HB3' ' A' ' 50' ' ' TRP . 59.8 t -62.25 -44.13 98.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.736 178.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -62.61 -37.44 86.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.739 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.479 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 96.0 mmm -56.59 -46.95 80.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.884 0.373 . . . . 0.0 110.331 177.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.479 ' HA ' HG13 ' A' ' 36' ' ' ILE . 47.4 t -63.07 -48.92 85.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.397 178.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.5 mt -59.82 -45.23 93.04 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.893 -177.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -63.03 -41.3 99.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.18 -177.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.0 m -78.09 -27.2 48.43 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.973 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -62.55 -40.59 97.32 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.936 0.398 . . . . 0.0 110.806 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.03 -6.68 89.04 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.732 178.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -92.88 -43.0 9.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.008 0.433 . . . . 0.0 109.834 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -92.03 178.42 5.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.968 176.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -98.9 -45.43 5.98 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.074 0.464 . . . . 0.0 109.939 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.9 m -83.27 120.27 25.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.532 -176.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -67.23 -45.71 75.94 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.873 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -57.9 -50.0 74.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.181 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.22 -43.18 74.25 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.035 177.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.461 ' O ' HG12 ' A' ' 36' ' ' ILE . 73.8 m -59.86 -52.57 64.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.448 177.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.568 HG21 ' HB2' ' A' ' 47' ' ' LEU . 73.2 mt -54.26 -45.03 67.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.276 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.5 t -73.21 -16.86 61.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.609 -176.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.9 m -95.49 -21.5 18.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.776 0.322 . . . . 0.0 111.505 -178.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.479 HG13 ' HA ' ' A' ' 19' ' ' VAL . 47.0 mm -86.19 -27.97 6.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.089 0.471 . . . . 0.0 110.049 177.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.558 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -51.96 -51.95 66.22 Favored Pre-proline 0 CA--C 1.539 0.525 0 CA-C-N 115.439 -0.801 . . . . 0.0 112.697 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.558 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 12.9 Cg_exo -70.23 -21.89 30.69 Favored 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 122.136 1.89 . . . . 0.0 112.525 -178.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -74.89 -33.58 62.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.949 0.404 . . . . 0.0 110.414 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.507 HD11 HD12 ' A' ' 47' ' ' LEU . 62.9 mt -86.8 -43.62 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.311 177.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.92 47.83 0.99 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.804 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 17.0 p -152.33 170.35 20.28 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -178.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.7 p -76.39 148.18 80.11 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.627 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.529 ' HA ' HD23 ' A' ' 47' ' ' LEU . 40.7 Cg_exo -57.58 -24.47 62.26 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.603 2.202 . . . . 0.0 111.983 177.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -60.27 -38.68 84.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.194 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.5 m -66.96 -37.6 84.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.898 -178.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.568 ' HB2' HG21 ' A' ' 33' ' ' ILE . 3.4 mm? -63.37 -38.36 90.86 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.48 178.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.451 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 78.8 mtt180 -57.44 -45.68 84.43 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 177.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 64.2 t -65.25 -44.78 95.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.355 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.515 ' HB3' HG23 ' A' ' 16' ' ' VAL . 26.8 m0 -61.28 -46.77 88.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.579 -178.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 88.7 t -64.56 -44.19 96.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.845 0.355 . . . . 0.0 110.231 178.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.451 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 5.6 tpt180 -58.57 -52.18 66.74 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.425 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -62.86 -38.18 89.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.093 -177.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -63.41 -38.16 90.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.993 178.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 C--N 1.325 -0.477 0 CA-C-O 120.788 0.328 . . . . 0.0 111.432 -179.096 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 . . . . . 0 C--O 1.227 -0.117 0 CA-C-O 120.58 0.229 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.19 -43.93 99.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.527 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.47 ' O ' HG23 ' A' ' 16' ' ' VAL . 61.5 ttp180 -61.06 -46.29 91.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.469 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -65.53 -41.12 93.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.128 0.489 . . . . 0.0 110.156 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -59.88 -43.19 94.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.007 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.495 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -60.76 -46.5 90.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.163 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 12' ' ' ARG . 85.6 t -56.76 -48.04 81.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.797 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -66.71 -41.3 88.19 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.667 177.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.408 ' HG2' HD13 ' A' ' 36' ' ' ILE . 48.2 ttm -56.95 -38.61 73.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.857 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 15' ' ' ALA . 97.8 t -61.94 -53.11 52.32 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.516 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.572 176.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 92.3 mt -62.18 -43.6 98.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.109 0.481 . . . . 0.0 111.154 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -61.71 -36.97 82.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.694 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.5 m -85.93 -23.73 26.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.702 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -59.22 -41.59 89.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.869 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.12 -33.57 80.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.368 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -83.48 -42.05 17.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.716 0.293 . . . . 0.0 111.25 -178.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -66.2 162.83 19.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.742 0.782 . . . . 0.0 112.472 -176.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.78 -40.0 61.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.831 178.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 p -143.29 163.53 32.74 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.925 0.393 . . . . 0.0 111.901 -173.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -59.49 -52.62 64.81 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.94 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -63.1 -36.89 85.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 -175.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.17 -25.44 67.77 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.998 0.428 . . . . 0.0 111.009 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.4 m -80.94 -44.76 17.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.61 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 76.6 mt -66.49 -47.32 84.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.837 -176.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.8 p -69.88 -18.25 63.4 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -172.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.4 p -93.62 -33.22 13.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.735 0.302 . . . . 0.0 111.562 -178.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.408 HD13 ' HG2' ' A' ' 18' ' ' MET . 75.2 mt -83.47 -35.48 11.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.679 -177.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.426 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -52.54 -53.98 47.64 Favored Pre-proline 0 CA--C 1.54 0.59 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -175.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 33.8 Cg_endo -63.48 -22.56 71.07 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.952 1.768 . . . . 0.0 112.129 -179.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -78.7 -20.74 49.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.202 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.8 mt -82.11 -40.23 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.371 0.605 . . . . 0.0 109.769 175.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.15 -9.98 8.85 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.439 -0.8 . . . . 0.0 112.131 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 22.7 p -106.49 -177.57 3.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.767 0.318 . . . . 0.0 110.636 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.1 p -91.08 162.54 32.28 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.923 178.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.48 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 51.0 Cg_exo -55.94 -32.54 86.01 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.796 2.33 . . . . 0.0 112.331 179.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -50.04 -51.46 42.12 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.991 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.2 m -61.2 -42.98 99.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.131 -178.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.412 ' O ' HG21 ' A' ' 51' ' ' VAL . 32.9 tp -69.03 -36.85 78.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -176.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 44' ' ' PRO . 32.1 mtp-105 -55.2 -41.72 72.34 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.932 0.396 . . . . 0.0 110.588 176.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.8 t -65.79 -48.43 82.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.888 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 50.7 m0 -57.51 -47.27 82.4 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.159 -177.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.412 HG21 ' O ' ' A' ' 47' ' ' LEU . 63.6 t -63.42 -47.13 93.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.02 -179.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -65.11 -37.98 89.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.789 -177.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -57.96 -50.57 72.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.022 0.439 . . . . 0.0 110.579 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -66.77 -34.03 76.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.102 -178.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.84 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 . . . . . 0 N--CA 1.464 0.244 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.4 t -60.75 -37.52 76.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.272 176.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.401 ' O ' HG23 ' A' ' 16' ' ' VAL . 27.5 mtm180 -69.58 -39.58 77.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.21 178.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -59.92 -42.75 94.63 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.16 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -58.33 -49.0 78.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.464 175.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.562 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -55.97 -53.73 53.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.391 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 12' ' ' ARG . 74.7 t -59.48 -48.59 86.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.324 -178.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.3 mtm180 -65.63 -35.21 80.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.179 -178.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 35.1 ttp -68.53 -32.03 71.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.872 0.368 . . . . 0.0 110.577 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 15' ' ' ALA . 94.4 t -66.85 -43.48 89.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 173.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.51 -44.35 96.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.636 178.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -54.79 -45.22 74.3 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.125 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.5 p -84.12 -26.6 28.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.486 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -64.61 -28.22 69.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.919 0.39 . . . . 0.0 110.586 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.75 1.82 61.2 Favored Glycine 0 CA--C 1.522 0.484 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.349 176.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -119.23 -32.04 4.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.273 0.559 . . . . 0.0 110.183 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -86.62 -170.65 3.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.495 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -114.01 -58.27 2.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.557 177.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.4 m -94.24 135.84 35.19 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.155 -176.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -67.5 -33.04 74.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.208 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.422 ' CH2' ' HD2' ' A' ' 48' ' ' ARG . 72.3 m95 -71.95 -22.37 61.47 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.348 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.66 -32.2 72.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.469 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.3 p -84.25 -43.01 15.3 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.876 177.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.514 ' HA ' HD22 ' A' ' 47' ' ' LEU . 83.1 mt -57.63 -50.63 76.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.495 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.509 ' HA ' ' HB3' ' A' ' 44' ' ' PRO . 67.8 m -72.74 -12.19 60.91 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -175.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.9 t -98.48 -42.89 7.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.743 0.306 . . . . 0.0 110.946 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.5 mt -73.6 -38.72 52.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -174.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.583 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -56.35 -52.61 71.78 Favored Pre-proline 0 CA--C 1.538 0.519 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -177.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.583 ' HD3' ' HB1' ' A' ' 37' ' ' ALA . 17.5 Cg_exo -67.85 -19.97 46.07 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 121.856 1.704 . . . . 0.0 112.227 178.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -76.17 -35.76 59.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.676 177.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 72.6 mt -74.74 -52.85 18.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.176 175.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.94 42.94 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.469 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.3 p -153.64 172.91 16.5 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.1 p -87.44 150.0 47.94 Favored Pre-proline 0 C--N 1.319 -0.753 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 177.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.509 ' HB3' ' HA ' ' A' ' 34' ' ' CYS . 7.9 Cg_endo -49.91 -36.59 44.01 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.687 2.925 . . . . 0.0 114.807 -171.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.92 -27.77 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.091 -174.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.2 m -70.63 -35.8 73.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.135 0.493 . . . . 0.0 110.299 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.514 HD22 ' HA ' ' A' ' 33' ' ' ILE . 51.7 tp -64.55 -36.95 85.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.132 177.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.422 ' HD2' ' CH2' ' A' ' 30' ' ' TRP . 68.8 ttt180 -60.45 -40.7 92.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.43 176.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 57.4 t -59.62 -40.96 83.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.639 178.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 53.2 m0 -66.6 -42.8 86.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.812 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.419 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 99.0 t -61.85 -44.37 98.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 176.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -54.45 -39.19 67.18 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.2 177.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.579 HE21 ' HA ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -61.84 -47.07 86.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.556 178.01 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -68.72 -27.45 65.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -177.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 51' ' ' VAL . 50.7 mt-10 . . . . . 0 C--N 1.329 -0.31 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 174.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 14' ' ' ARG . 18.7 tp10 . . . . . 0 C--O 1.224 -0.258 0 CA-C-O 120.704 0.288 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.64 -42.13 94.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.394 0.616 . . . . 0.0 110.251 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.482 ' NH2' ' HG2' ' A' ' 53' ' ' GLN . 38.7 ttt180 -61.15 -44.4 97.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.917 177.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -66.14 -41.39 90.51 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.065 177.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 96.0 mtt180 -56.59 -41.92 77.83 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.092 0.245 . . . . 0.0 110.871 177.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.41 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -56.95 -55.66 31.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.761 178.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.426 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 43.5 t -63.62 -39.79 86.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.782 179.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -59.08 -49.27 78.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.262 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 67.1 mtt -61.41 -42.34 98.57 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 120.812 0.339 . . . . 0.0 110.509 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 15' ' ' ALA . 73.7 t -61.0 -46.36 96.79 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.267 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.776 178.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 85.8 mt -62.78 -45.56 92.09 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.597 0.236 . . . . 0.0 111.148 -179.393 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -62.77 -42.32 99.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.825 0.345 . . . . 0.0 110.463 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' A' ' 25' ' ' GLU . 17.2 m -76.08 -14.91 60.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.629 179.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.693 ' NE2' ' HA ' ' A' ' 29' ' ' GLN . 4.8 tp-100 -83.32 -15.17 51.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.312 0.577 . . . . 0.0 109.568 177.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.54 -6.8 89.11 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 167.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.43 ' HB3' ' O ' ' A' ' 22' ' ' SER . 4.9 tp10 -99.0 -51.43 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.088 -0.556 . . . . 0.0 109.749 178.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -99.58 -176.25 3.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.959 -178.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -116.44 -32.27 5.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.814 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.9 m -87.96 133.03 34.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.984 -177.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.693 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 58.6 tt0 -70.82 -51.01 29.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.881 -173.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.454 ' HD1' ' HD2' ' A' ' 48' ' ' ARG . 27.6 t90 -69.05 -25.76 64.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.605 0.24 . . . . 0.0 110.864 -174.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.73 -34.86 71.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.406 0.622 . . . . 0.0 110.298 176.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.409 ' CG2' ' HB2' ' A' ' 22' ' ' SER . 9.9 m -77.73 -40.38 41.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.107 177.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.607 HG22 ' HB3' ' A' ' 47' ' ' LEU . 50.5 mm -57.93 -49.58 80.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.492 -178.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.1 p -73.64 -5.77 42.51 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -175.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.9 m -98.34 -40.94 8.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.991 0.424 . . . . 0.0 110.808 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.0 mm -83.89 -41.93 16.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.725 -175.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.449 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -53.55 -52.91 62.6 Favored Pre-proline 0 CA--C 1.539 0.555 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -176.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.449 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 37.7 Cg_endo -65.66 -22.61 57.56 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.151 1.901 . . . . 0.0 112.866 -178.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -73.5 -42.3 62.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.834 0.35 . . . . 0.0 110.201 178.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.3 mt -72.03 -34.29 50.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.353 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 112.71 37.79 1.38 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.341 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.3 p -140.16 169.93 16.77 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.403 ' HB ' ' OE2' ' A' ' 45' ' ' GLU . 21.7 p -96.98 151.51 37.78 Favored Pre-proline 0 C--N 1.321 -0.632 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.234 178.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -53.28 -29.16 45.96 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.796 2.997 . . . . 0.0 114.368 -175.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.465 ' O ' HG23 ' A' ' 49' ' ' VAL . 2.4 mp0 -53.3 -54.99 28.36 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.224 0.535 . . . . 0.0 110.566 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.7 m -67.94 -33.39 74.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.287 -175.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.607 ' HB3' HG22 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -61.44 -44.5 97.01 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.454 ' HD2' ' HD1' ' A' ' 30' ' ' TRP . 15.3 mtp180 -65.09 -32.16 73.73 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.327 178.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 45' ' ' GLU . 95.3 t -64.09 -40.96 90.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.455 178.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 34.7 m0 -65.99 -39.94 90.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.955 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 47' ' ' LEU . 60.0 t -64.12 -47.65 89.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.534 178.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.431 ' O ' ' HB3' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -63.85 -29.68 70.85 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.778 178.2 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.482 ' HG2' ' NH2' ' A' ' 12' ' ' ARG . 6.8 tp-100 -66.59 -50.9 61.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.186 177.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -67.43 -26.31 66.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.325 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.431 ' HB3' ' O ' ' A' ' 52' ' ' ARG . 32.8 tt0 . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.818 177.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 . . . . . 0 C--O 1.236 0.387 0 CA-C-O 121.027 0.442 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.5 t -70.51 -44.68 76.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.731 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -62.73 -43.53 98.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.007 -175.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.487 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 72.1 mm-40 -62.8 -50.51 70.73 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.377 177.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.5 ttm-85 -56.81 -46.61 81.52 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.683 0.277 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.532 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -58.55 -58.17 9.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.471 -178.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.497 HG11 ' CB ' ' A' ' 54' ' ' HIS . 55.5 t -63.17 -43.13 98.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.765 -174.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 13' ' ' GLN . 56.3 mtp180 -64.9 -31.71 73.07 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.737 -178.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 47.1 ttp -72.14 -38.5 69.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.973 175.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.532 HG22 ' O ' ' A' ' 15' ' ' ALA . 84.5 t -63.1 -45.08 99.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.271 175.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 97.3 mt -63.18 -36.33 83.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.072 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -56.41 -58.2 9.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.816 177.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.5 m -79.73 -8.97 59.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.343 -177.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -68.15 -37.44 81.03 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 173.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.1 -26.73 73.24 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.661 175.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -70.78 -49.53 45.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.996 0.427 . . . . 0.0 110.591 177.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -85.71 165.47 16.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.274 0.559 . . . . 0.0 111.896 -177.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -82.64 -55.34 4.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.641 176.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.8 m -97.53 133.18 42.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.808 -176.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -60.87 -43.9 97.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.773 -175.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 52.2 p-90 -59.3 -28.43 66.77 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.334 -176.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.04 -31.31 70.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.944 0.402 . . . . 0.0 110.811 -178.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.8 m -80.42 -44.35 19.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.319 0.58 . . . . 0.0 110.501 177.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.644 HG23 HD22 ' A' ' 47' ' ' LEU . 70.8 mt -60.86 -45.85 97.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.357 -0.838 . . . . 0.0 112.14 -175.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.7 p -69.99 -9.55 55.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 111.75 -177.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.8 t -98.38 -13.18 20.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.995 0.426 . . . . 0.0 110.819 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.7 mt -108.62 -35.95 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 122.243 -0.285 . . . . 0.0 111.541 -176.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.72 -53.21 56.77 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 112.667 0.618 . . . . 0.0 112.667 -177.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.26 -12.67 30.24 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 121.872 1.715 . . . . 0.0 112.66 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -82.99 -36.64 24.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.524 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 68.0 mt -83.76 -52.13 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.499 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.46 47.1 0.11 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.956 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.3 p -146.9 171.65 14.89 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.0 p -87.75 158.84 50.3 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.522 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 51.6 Cg_exo -54.01 -34.51 77.52 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.487 2.125 . . . . 0.0 111.322 175.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 49' ' ' VAL . 32.4 tt0 -65.74 -52.02 54.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.473 177.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.9 m -56.44 -42.13 77.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.527 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.644 HD22 HG23 ' A' ' 33' ' ' ILE . 26.9 tp -68.67 -37.1 79.34 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.708 -179.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.53 ' HG2' HD12 ' A' ' 33' ' ' ILE . 10.7 mtp180 -61.17 -40.59 94.48 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.758 0.313 . . . . 0.0 110.251 175.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 45' ' ' GLU . 84.5 t -60.45 -44.16 95.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.724 178.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 42.9 m0 -63.31 -43.14 98.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.57 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 47' ' ' LEU . 58.0 t -63.74 -46.21 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.859 0.362 . . . . 0.0 110.227 177.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -60.55 -39.06 86.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.331 178.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -68.27 -33.89 75.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.179 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.497 ' CB ' HG11 ' A' ' 16' ' ' VAL . 11.0 t-80 -63.91 -43.2 96.64 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 C--N 1.325 -0.484 0 CA-C-O 121.377 0.608 . . . . 0.0 110.102 175.572 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 . . . . . 0 N--CA 1.456 -0.155 0 CA-C-O 120.368 0.128 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.2 t -65.99 -42.5 91.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.971 0.415 . . . . 0.0 110.051 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.539 ' O ' HG23 ' A' ' 16' ' ' VAL . 46.8 mtp180 -62.4 -39.68 94.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.038 176.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -67.53 -39.09 85.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.914 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -56.42 -43.26 79.2 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.436 175.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.474 ' O ' HG21 ' A' ' 19' ' ' VAL . . . -60.76 -53.74 53.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.565 176.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.565 ' HA ' HG23 ' A' ' 51' ' ' VAL . 60.8 t -55.68 -51.21 61.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.157 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.4 ttt180 -59.66 -53.37 58.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.257 -178.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.5 ' HE2' HG22 ' A' ' 36' ' ' ILE . 30.5 ttp -60.91 -32.39 71.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.162 -173.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.484 ' O ' ' HB2' ' A' ' 23' ' ' GLN . 74.1 t -65.47 -49.54 77.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 121.136 -0.226 . . . . 0.0 110.685 176.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.6 mt -68.65 -41.81 78.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.286 0.565 . . . . 0.0 110.737 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -59.01 -46.17 88.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.466 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.5 m -80.47 -12.16 59.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.59 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.484 ' HB2' ' O ' ' A' ' 19' ' ' VAL . 7.4 tt0 -78.67 -15.76 58.1 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 176.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.1 -24.91 73.39 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.311 -0.947 . . . . 0.0 110.922 167.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -93.31 -47.79 6.74 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.481 ' HB2' ' HG1' ' A' ' 32' ' ' THR . 91.1 m-85 -91.75 121.96 33.87 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.576 178.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -69.54 -31.6 69.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.016 -178.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.4 m -101.12 117.68 35.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.884 0.373 . . . . 0.0 110.494 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -61.55 -38.1 86.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.229 -175.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 41.8 p-90 -62.06 -30.45 70.99 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.688 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.47 -34.29 72.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.097 0.475 . . . . 0.0 110.168 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.481 ' HG1' ' HB2' ' A' ' 26' ' ' TYR . 2.8 m -69.21 -43.44 74.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.044 177.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.667 HG21 HD21 ' A' ' 47' ' ' LEU . 76.7 mt -60.7 -45.68 97.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.047 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 83.7 m -65.53 -25.4 67.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.862 -176.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.0 p -92.87 -25.89 17.88 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -177.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.5 HG22 ' HE2' ' A' ' 18' ' ' MET . 59.3 mt -89.66 -28.53 5.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.563 -178.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.431 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -52.74 -51.97 68.81 Favored Pre-proline 0 CA--C 1.541 0.616 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 51.3 Cg_endo -69.14 -8.04 22.52 Favored 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 122.067 1.844 . . . . 0.0 112.881 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 36' ' ' ILE . 72.1 mmtt -84.4 -36.78 22.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.263 0.554 . . . . 0.0 109.946 175.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 65.4 mt -79.34 -39.89 21.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.118 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.26 39.43 5.1 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -177.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 79.1 m -145.95 176.45 9.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.57 -0.315 . . . . 0.0 110.216 -178.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.652 ' HB ' ' HG2' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -74.66 135.99 74.58 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.574 -179.5 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.402 ' HB3' HG22 ' A' ' 33' ' ' ILE . 36.2 Cg_exo -57.19 -35.69 98.95 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.957 2.438 . . . . 0.0 112.056 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.652 ' HG2' ' HB ' ' A' ' 43' ' ' THR . 14.4 pt-20 -57.37 -42.88 82.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.037 177.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 m -67.68 -36.28 80.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.078 0.466 . . . . 0.0 110.502 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.667 HD21 HG21 ' A' ' 33' ' ' ILE . 52.3 tp -59.34 -44.24 92.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.457 177.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.0 ttt85 -65.64 -34.89 79.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.684 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.518 HG21 ' O ' ' A' ' 45' ' ' GLU . 87.2 t -62.58 -45.16 99.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.817 177.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.494 ' CE3' ' HA ' ' A' ' 47' ' ' LEU . 19.1 m0 -57.27 -47.9 80.25 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.734 0.302 . . . . 0.0 111.059 179.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.565 HG23 ' HA ' ' A' ' 16' ' ' VAL . 57.9 t -60.51 -47.68 91.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.528 179.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -61.45 -48.34 81.58 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.666 -177.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -65.09 -33.87 77.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.738 -178.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 37.7 t60 -68.88 -27.93 66.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.336 179.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.552 ' HG3' ' O ' ' A' ' 51' ' ' VAL . 50.0 mt-10 . . . . . 0 C--O 1.233 0.216 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 174.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 . . . . . 0 CA--C 1.527 0.081 0 CA-C-O 120.709 0.29 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.2 t -69.05 -47.03 77.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.508 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -64.56 -43.71 93.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -62.44 -44.14 97.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.265 178.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 14' ' ' ARG . 34.6 ttt180 -60.46 -41.63 94.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.665 179.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.534 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -59.93 -56.79 17.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.899 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.404 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 62.8 t -58.85 -43.18 87.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.606 -179.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.458 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 60.9 ttm-85 -59.02 -49.91 76.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.802 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.484 ' HE2' HG21 ' A' ' 36' ' ' ILE . 40.6 ttp -66.0 -31.53 72.48 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.085 -177.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 15' ' ' ALA . 78.3 t -61.91 -46.98 95.3 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.747 0.308 . . . . 0.0 110.291 175.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 76.5 mt -63.63 -43.22 97.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.254 178.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 17' ' ' ARG . 16.0 mm-40 -56.29 -42.75 78.01 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.168 177.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.457 ' O ' ' HD2' ' A' ' 26' ' ' TYR . 16.0 m -78.29 -31.44 48.95 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.961 -178.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -63.55 -20.45 65.64 Favored 'General case' 0 C--O 1.226 -0.137 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 177.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.05 -8.87 18.78 Favored Glycine 0 CA--C 1.525 0.684 0 CA-C-N 115.719 -0.673 . . . . 0.0 113.406 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -124.12 -30.77 3.43 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 117.18 0.49 . . . . 0.0 110.608 174.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.457 ' HD2' ' O ' ' A' ' 22' ' ' SER . 59.7 m-85 -73.1 156.39 38.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.952 0.406 . . . . 0.0 110.957 178.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -84.86 -26.05 27.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.198 0.523 . . . . 0.0 110.63 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.536 ' HB2' ' HE3' ' A' ' 30' ' ' TRP . 6.1 p -138.86 143.91 38.99 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.07 -176.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -59.87 -36.67 77.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.777 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.536 ' HE3' ' HB2' ' A' ' 28' ' ' SER . 27.2 m-90 -62.43 -39.9 94.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.127 -177.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.96 -38.33 90.66 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.039 0.447 . . . . 0.0 110.345 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.418 HG22 ' HB2' ' A' ' 22' ' ' SER . 24.0 m -64.1 -48.34 76.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.713 176.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.683 HG23 HD22 ' A' ' 47' ' ' LEU . 80.9 mt -57.1 -43.2 80.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.41 -178.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 63.2 m -66.22 -17.17 64.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.796 -178.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.2 m -98.55 -36.77 9.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.028 0.442 . . . . 0.0 111.071 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.484 HG21 ' HE2' ' A' ' 18' ' ' MET . 47.5 mm -80.44 -38.39 17.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.798 -175.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.555 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -55.22 -51.43 79.79 Favored Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -176.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.555 ' HD3' ' HB1' ' A' ' 37' ' ' ALA . 16.7 Cg_exo -68.36 -25.96 35.55 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 121.974 1.783 . . . . 0.0 112.116 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -68.38 -44.1 75.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.367 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.6 mt -81.06 -38.13 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.041 0.448 . . . . 0.0 110.724 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.74 53.08 0.93 Allowed Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -177.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.8 p -146.26 153.33 40.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.71 0.291 . . . . 0.0 110.878 -176.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.5 ' HB ' ' OG1' ' A' ' 46' ' ' THR . 43.8 m -64.71 130.41 94.75 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.373 176.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.51 -41.66 71.68 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.831 2.354 . . . . 0.0 112.573 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.532 ' O ' HG21 ' A' ' 49' ' ' VAL . 45.9 mt-10 -67.09 -32.79 74.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.5 ' OG1' ' HB ' ' A' ' 43' ' ' THR . 19.2 m -67.79 -37.35 81.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.144 0.497 . . . . 0.0 110.279 176.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.683 HD22 HG23 ' A' ' 33' ' ' ILE . 46.9 tp -62.17 -38.0 87.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.817 176.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -60.06 -44.4 94.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.137 174.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.532 HG21 ' O ' ' A' ' 45' ' ' GLU . 49.7 t -60.06 -41.63 87.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.64 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 53.0 m0 -62.12 -43.95 97.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.429 HG21 ' O ' ' A' ' 47' ' ' LEU . 56.1 t -67.37 -41.29 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.19 177.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.1 ttm-85 -59.66 -49.89 75.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.54 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.31 -47.27 86.03 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -56.57 -40.49 75.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.384 -178.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.572 -175.686 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 . . . . . 0 C--O 1.218 -0.565 0 N-CA-C 111.263 0.097 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 87.3 t -57.41 -47.51 84.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.864 0.364 . . . . 0.0 111.189 -178.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 52.3 ttp180 -61.99 -49.83 74.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.268 0.556 . . . . 0.0 111.374 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -79.62 -27.7 41.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.825 -172.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -74.5 -30.85 61.97 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 175.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.573 ' O ' HG21 ' A' ' 19' ' ' VAL . . . -59.88 -50.64 72.99 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.724 174.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.437 HG13 HG23 ' A' ' 51' ' ' VAL . 54.6 t -61.13 -38.25 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.619 176.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.1 tpp85 -60.4 -42.95 97.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.357 177.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -73.98 -25.0 59.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.41 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.573 HG21 ' O ' ' A' ' 15' ' ' ALA . 79.7 t -60.29 -40.17 83.02 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 171.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.7 mt -68.67 -40.44 80.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.43 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -60.67 -37.1 80.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.928 177.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.9 m -82.39 -17.71 44.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.952 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -66.99 -32.74 74.18 Favored 'General case' 0 CA--C 1.522 -0.118 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 176.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.2 48.96 2.87 Favored Glycine 0 C--N 1.33 0.204 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.361 175.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -165.96 -57.32 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -73.22 149.41 42.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.237 177.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -82.35 -18.02 43.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.429 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.7 p -132.55 127.81 35.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.366 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.464 ' O ' HG12 ' A' ' 33' ' ' ILE . 29.1 tt0 -68.29 -26.78 65.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.608 -178.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 6.9 m-90 -63.28 -35.52 80.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.723 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.11 -39.99 82.64 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.178 0.513 . . . . 0.0 109.967 177.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.6 m -57.91 -46.14 85.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.627 175.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.464 HG12 ' O ' ' A' ' 29' ' ' GLN . 47.6 mm -56.71 -48.21 81.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.663 178.003 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 59.5 m -71.92 -7.32 47.84 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.947 -176.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.0 m -98.05 -33.24 11.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.014 0.435 . . . . 0.0 110.935 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.515 HD13 HG22 ' A' ' 19' ' ' VAL . 69.1 mt -87.92 -31.68 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.485 -176.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.28 -53.81 59.73 Favored Pre-proline 0 CA--C 1.539 0.552 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -68.39 -18.48 44.03 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.777 1.651 . . . . 0.0 112.324 178.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -71.52 -53.37 14.09 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.3 mt -72.57 -34.82 49.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.27 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.23 50.7 1.69 Allowed Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -178.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.0 p -141.56 172.06 13.2 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.894 0.378 . . . . 0.0 110.594 -178.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.5 m -79.02 128.83 75.04 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.717 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.86 -37.46 95.8 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.131 2.554 . . . . 0.0 112.275 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.588 ' O ' HG23 ' A' ' 49' ' ' VAL . 40.7 mt-10 -57.06 -46.49 82.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.601 177.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.0 m -63.73 -38.1 89.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.962 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.428 ' O ' HG22 ' A' ' 51' ' ' VAL . 44.1 tp -63.76 -40.33 96.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.783 177.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 48' ' ' ARG . 15.5 tpt180 -66.49 -35.49 80.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.342 175.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 45' ' ' GLU . 70.3 t -59.48 -45.35 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.829 177.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 50.0 m0 -61.72 -39.12 90.39 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 120.966 0.412 . . . . 0.0 110.766 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.437 HG23 HG13 ' A' ' 16' ' ' VAL . 57.5 t -67.64 -50.05 64.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.472 177.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.417 ' HA ' ' HB2' ' A' ' 55' ' ' GLU . 40.0 ttm180 -65.4 -32.09 73.54 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.759 0.314 . . . . 0.0 110.95 -178.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -61.1 -41.75 97.24 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -76.94 -26.02 53.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.049 0.452 . . . . 0.0 110.722 176.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.417 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 19.1 tt0 . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.674 176.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.556 ' O ' ' HG3' ' A' ' 14' ' ' ARG . 33.1 mt-10 . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.892 0.377 . . . . 0.0 110.535 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 63.6 t -65.86 -41.13 89.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.003 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.417 ' O ' HG22 ' A' ' 16' ' ' VAL . 44.8 ttp180 -62.61 -40.77 98.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.04 176.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.412 ' HA ' ' OE1' ' A' ' 13' ' ' GLN . 6.0 tp60 -66.17 -41.89 89.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.534 -179.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.606 ' HB3' ' HE2' ' A' ' 18' ' ' MET . 95.3 mtt180 -57.32 -47.24 82.06 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-O 121.1 0.476 . . . . 0.0 109.8 175.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.481 ' O ' HG21 ' A' ' 19' ' ' VAL . . . -55.58 -50.46 70.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.657 -177.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.531 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 69.2 t -56.95 -44.27 82.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.712 -179.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.4 ttp85 -65.04 -43.75 91.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.579 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.606 ' HE2' ' HB3' ' A' ' 14' ' ' ARG . 66.8 mtt -61.42 -42.24 98.43 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.569 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.481 HG21 ' O ' ' A' ' 15' ' ' ALA . 81.8 t -60.07 -46.37 94.4 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.269 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.524 177.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 84.5 mt -62.44 -48.58 79.06 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.754 0.311 . . . . 0.0 111.173 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -62.07 -44.37 96.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.881 -178.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.513 ' HB2' HG21 ' A' ' 32' ' ' THR . 18.2 m -73.62 -25.01 60.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -64.83 -30.17 71.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.108 0.48 . . . . 0.0 109.988 176.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.06 -8.39 86.88 Favored Glycine 0 CA--C 1.522 0.499 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.224 175.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -99.59 -55.07 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.941 0.4 . . . . 0.0 110.546 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -73.68 163.09 28.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.649 -176.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -87.43 -8.08 56.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.857 176.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.4 t -138.52 132.62 31.48 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.0 -176.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -70.58 -27.85 64.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.586 0.708 . . . . 0.0 109.11 174.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.427 ' CD1' ' N ' ' A' ' 30' ' ' TRP . 5.5 m0 -65.0 -51.17 63.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.29 178.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.0 -29.08 70.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.713 177.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.56 ' O ' HG12 ' A' ' 36' ' ' ILE . 92.5 m -62.34 -54.99 32.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.354 176.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.481 HG23 ' HB2' ' A' ' 47' ' ' LEU . 58.6 mt -56.82 -40.73 73.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 120.99 0.424 . . . . 0.0 110.845 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.5 t -61.06 -28.11 68.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.96 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.408 ' O ' ' HD2' ' A' ' 38' ' ' PRO . 21.0 m -95.39 -17.35 21.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.617 -176.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.56 HG12 ' O ' ' A' ' 32' ' ' THR . 49.5 mm -83.5 -24.11 8.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.24 0.543 . . . . 0.0 110.564 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.588 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -54.48 -53.18 62.59 Favored Pre-proline 0 CA--C 1.54 0.588 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.738 177.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.588 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 2.3 Cg_endo -82.22 8.04 4.74 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.374 2.049 . . . . 0.0 112.222 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 36' ' ' ILE . 27.5 tptp -90.23 -29.2 18.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.211 178.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.1 mt -110.79 -41.38 4.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.418 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.16 35.36 1.03 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.741 -0.743 . . . . 0.0 111.447 -175.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 66.0 m -129.56 174.48 9.62 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.3 p -91.84 157.52 41.34 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.477 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 14.5 Cg_endo -58.07 -24.54 66.48 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.614 2.209 . . . . 0.0 111.954 178.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -64.45 -44.68 90.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.275 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.5 m -61.6 -42.95 99.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.229 -176.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.481 ' HB2' HG23 ' A' ' 33' ' ' ILE . 3.7 mm? -61.11 -42.31 98.3 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.193 -179.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 44' ' ' PRO . 54.6 mtt180 -57.42 -46.83 83.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.77 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.582 HG12 HE21 ' A' ' 53' ' ' GLN . 30.9 t -65.55 -42.25 92.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.625 -179.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 35.6 m0 -61.3 -41.93 97.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.694 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.456 HG21 ' O ' ' A' ' 47' ' ' LEU . 94.9 t -62.69 -45.11 99.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.744 0.307 . . . . 0.0 110.542 178.186 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -66.08 -32.09 73.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.809 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.582 HE21 HG12 ' A' ' 49' ' ' VAL . 76.4 mt-30 -66.56 -35.11 79.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.614 176.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -73.06 -26.27 61.22 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.811 175.709 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 . . . . . 0 N--CA 1.456 -0.165 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.7 t -62.59 -40.33 87.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.843 -176.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.6 tpp85 -59.03 -50.96 72.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.58 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -67.75 -42.58 81.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.484 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -58.02 -41.99 84.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.113 -178.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.466 ' O ' HG21 ' A' ' 19' ' ' VAL . . . -63.86 -51.86 62.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.137 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.474 HG21 ' HB2' ' A' ' 54' ' ' HIS . 40.1 t -64.84 -42.64 95.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.747 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -56.51 -45.68 80.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.218 175.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 41.8 tpp -58.63 -42.27 87.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.562 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.466 HG21 ' O ' ' A' ' 15' ' ' ALA . 90.1 t -66.75 -55.09 19.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.74 -40.92 97.92 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -173.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.42 -39.73 74.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.575 -178.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.7 m -72.2 -28.78 63.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.045 0.45 . . . . 0.0 109.902 176.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.418 HE21 ' HB3' ' A' ' 23' ' ' GLN . 0.9 OUTLIER -63.44 -29.83 71.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.609 174.013 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.74 -28.48 70.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.075 175.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -74.17 -35.05 63.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.316 0.579 . . . . 0.0 109.665 176.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -99.16 -157.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.844 175.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -134.34 8.13 3.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.528 0.68 . . . . 0.0 109.421 172.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.403 ' OG ' ' HE3' ' A' ' 30' ' ' TRP . 39.4 t -131.36 121.75 25.19 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.067 -174.296 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.41 ' O ' HG13 ' A' ' 33' ' ' ILE . 66.0 mt-30 -65.26 -46.7 79.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.957 0.408 . . . . 0.0 110.092 172.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.403 ' HE3' ' OG ' ' A' ' 28' ' ' SER . 9.9 m-90 -55.23 -51.98 64.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.812 -173.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.38 94.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.169 0.509 . . . . 0.0 110.89 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.456 ' O ' HG13 ' A' ' 36' ' ' ILE . 26.9 m -67.43 -47.35 70.45 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.29 -178.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.612 HG22 ' HB2' ' A' ' 47' ' ' LEU . 78.2 mt -55.54 -41.57 64.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.5 -178.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.6 m -62.35 -28.48 69.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.865 0.364 . . . . 0.0 111.618 -178.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 t -89.96 -20.07 23.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.912 0.386 . . . . 0.0 110.945 -176.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 32' ' ' THR . 60.2 mt -86.6 -15.52 9.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.903 0.382 . . . . 0.0 111.247 -176.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.535 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -54.17 -56.91 21.15 Favored Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.54 177.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.535 ' HD3' ' HB1' ' A' ' 37' ' ' ALA . 73.1 Cg_endo -76.41 -10.09 18.91 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 121.85 1.7 . . . . 0.0 111.886 177.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.4 tttt -79.93 -42.29 24.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.003 -177.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.1 mm -83.6 -45.45 18.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.145 175.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.75 47.36 0.4 Allowed Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.058 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 19.3 p -153.75 -167.87 2.8 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.6 p -94.84 154.67 39.78 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.765 -0.198 . . . . 0.0 110.66 177.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.415 ' HA ' ' HB2' ' A' ' 37' ' ' ALA . 76.6 Cg_exo -51.94 -49.99 15.47 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.505 2.804 . . . . 0.0 114.343 -172.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.477 ' O ' HG22 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -61.78 -21.65 64.76 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -175.654 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.7 m -66.13 -36.96 84.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 110.699 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.612 ' HB2' HG22 ' A' ' 33' ' ' ILE . 3.3 mm? -64.81 -44.31 90.31 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.206 178.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 57.7 ttp85 -63.09 -35.94 81.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.379 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 45' ' ' GLU . 92.7 t -63.31 -50.28 79.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.262 175.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 43.3 m0 -61.66 -39.73 92.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.378 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.5 HG21 ' O ' ' A' ' 47' ' ' LEU . 77.7 t -60.13 -44.1 94.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 120.64 0.257 . . . . 0.0 110.484 176.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -64.54 -42.74 95.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.108 177.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' ' 49' ' ' VAL . 94.1 mt-30 -58.73 -46.41 87.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.547 178.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.474 ' HB2' HG21 ' A' ' 16' ' ' VAL . 68.7 t60 -72.25 -20.84 61.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.163 -178.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 . . . . . 0 C--N 1.326 -0.418 0 CA-C-O 121.18 0.514 . . . . 0.0 109.683 178.447 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.129 0.49 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.9 t -65.61 -37.34 79.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.228 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -58.24 -51.86 68.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.567 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -60.59 -42.06 95.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.526 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.471 ' O ' ' HG2' ' A' ' 18' ' ' MET . 99.3 mtt180 -60.62 -42.13 96.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.216 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.426 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -61.95 -49.86 74.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.305 -179.084 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -64.66 -36.61 77.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.212 0.529 . . . . 0.0 110.344 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -62.44 -38.73 90.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.026 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.471 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 92.4 mmm -63.13 -42.61 99.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.229 175.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 15' ' ' ALA . 93.3 t -58.84 -48.22 86.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.604 177.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.58 -45.59 89.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.034 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -57.74 -47.67 81.8 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.28 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.4 t -65.56 -41.13 93.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.271 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -65.9 -13.22 59.27 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.818 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.91 -28.35 71.77 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.883 173.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -111.76 -38.43 4.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.013 0.435 . . . . 0.0 109.962 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -80.66 107.79 13.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.554 177.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -76.33 -24.67 54.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.494 -172.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.5 m -97.21 108.38 21.09 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.36 -178.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.407 ' O ' HG13 ' A' ' 33' ' ' ILE . 6.7 tt0 -56.19 -38.08 70.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.454 -177.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -61.19 -37.78 84.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.783 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.2 -39.27 82.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.108 177.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.4 m -63.1 -49.75 73.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.877 177.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.556 HG21 HD22 ' A' ' 47' ' ' LEU . 82.6 mt -56.69 -48.41 80.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.311 -179.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.0 m -65.53 -14.44 61.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.817 -178.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.2 m -97.92 -41.6 7.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.873 0.368 . . . . 0.0 110.912 178.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.8 mm -79.56 -40.54 21.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.988 -174.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.566 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . . . -53.65 -52.23 69.06 Favored Pre-proline 0 CA--C 1.536 0.431 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -176.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.566 ' HD3' ' HB2' ' A' ' 37' ' ' ALA . 9.9 Cg_exo -71.86 -24.44 21.14 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 121.991 1.794 . . . . 0.0 112.049 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -72.5 -43.42 63.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.155 -179.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 47.8 mm -74.7 -44.72 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.398 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.34 51.83 0.38 Allowed Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.758 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.7 p -152.67 171.3 18.4 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -178.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.3 p -91.44 151.06 42.31 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.764 -0.198 . . . . 0.0 110.96 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.07 -37.69 86.86 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.026 2.484 . . . . 0.0 112.144 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.537 ' O ' HG21 ' A' ' 49' ' ' VAL . 11.0 tp10 -52.84 -59.32 4.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.488 175.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.3 m -61.64 -42.3 98.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.495 -175.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.556 HD22 HG21 ' A' ' 33' ' ' ILE . 49.3 tp -63.7 -43.86 95.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.801 -179.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.9 ttt85 -66.82 -31.78 72.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.086 -178.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.537 HG21 ' O ' ' A' ' 45' ' ' GLU . 88.1 t -61.66 -44.36 98.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 174.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 38.1 m0 -64.79 -34.68 78.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.052 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.496 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 85.1 t -60.15 -54.78 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 176.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.487 HH21 ' CD ' ' A' ' 55' ' ' GLU . 1.7 mmp_? -58.58 -38.89 78.87 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.603 178.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -62.84 -46.03 89.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.903 178.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -62.79 -37.29 86.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.942 0.401 . . . . 0.0 110.27 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 51' ' ' VAL . 47.6 mt-10 . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.538 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 . . . . . 0 C--O 1.233 0.213 0 CA-C-O 120.924 0.392 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.3 t -69.95 -40.1 78.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -61.19 -40.53 94.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.12 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -63.71 -49.67 72.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.768 178.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -59.17 -40.27 85.1 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.566 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.455 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -55.61 -51.59 66.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.074 178.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 51.8 t -65.81 -42.66 92.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.948 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -59.74 -45.62 91.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.977 -178.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 71.8 mtm -59.51 -44.68 93.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.665 0.269 . . . . 0.0 110.93 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 15' ' ' ALA . 98.7 t -59.88 -44.97 95.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.771 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.9 mt -67.84 -41.82 82.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.287 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -61.59 -51.52 68.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.322 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.4 m -67.29 -27.39 67.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.631 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.703 HE21 ' HB3' ' A' ' 29' ' ' GLN . 34.9 tt0 -60.52 -34.78 74.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.038 0.447 . . . . 0.0 110.141 176.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.04 -22.72 76.19 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.568 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -94.18 -18.8 21.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.945 0.402 . . . . 0.0 110.83 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -109.63 -163.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.668 175.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -111.29 -36.22 5.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.988 0.423 . . . . 0.0 110.644 177.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 t -117.64 140.45 49.63 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.078 -175.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.703 ' HB3' HE21 ' A' ' 23' ' ' GLN . 9.4 pt20 -73.2 -27.77 61.81 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-O 121.076 0.465 . . . . 0.0 109.747 175.003 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 9.4 m-90 -70.92 -23.16 62.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.209 0.528 . . . . 0.0 110.163 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.26 -26.24 52.27 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.797 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.6 p -91.97 -40.53 11.07 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.992 179.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.807 HG21 HD22 ' A' ' 47' ' ' LEU . 70.2 mt -51.81 -47.01 40.48 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.576 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.2 p -67.76 -14.77 63.23 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 -177.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.0 t -98.83 -19.14 17.56 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.154 0.502 . . . . 0.0 110.704 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.7 mt -102.67 -43.63 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.73 -175.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.538 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . . . -54.37 -50.77 83.11 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -176.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.538 ' HD3' ' HB2' ' A' ' 37' ' ' ALA . 24.6 Cg_exo -64.32 -25.45 64.23 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 122.042 1.828 . . . . 0.0 112.296 179.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -76.61 -29.57 56.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.195 0.521 . . . . 0.0 110.272 -179.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.6 mt -83.7 -42.67 17.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.348 0.594 . . . . 0.0 109.718 175.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.87 16.59 9.09 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.717 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.5 p -109.4 168.75 9.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.816 0.341 . . . . 0.0 110.571 -178.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.3 p -83.32 143.16 44.47 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.769 178.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -56.44 -37.52 97.03 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.764 2.31 . . . . 0.0 112.367 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.48 ' O ' HG23 ' A' ' 49' ' ' VAL . 48.7 mt-10 -63.16 -53.91 45.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.088 -178.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.2 m -65.25 -33.31 75.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.466 -178.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.807 HD22 HG21 ' A' ' 33' ' ' ILE . 55.1 tp -61.54 -42.52 98.95 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.845 0.355 . . . . 0.0 110.164 176.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -65.16 -37.08 86.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.506 177.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 45' ' ' GLU . 91.8 t -59.3 -41.03 82.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.756 178.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 32.1 m0 -60.7 -44.15 96.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.794 177.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.47 -46.39 96.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.135 176.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -60.64 -42.57 97.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.845 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 14.5 mm100 -66.73 -25.68 66.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.772 179.4 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -78.9 -30.88 45.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.71 174.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 . . . . . 0 C--N 1.331 -0.235 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 175.143 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 CA--C 1.531 0.225 0 CA-C-O 120.913 0.387 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 72.0 t -67.25 -48.98 76.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.348 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 49.6 mtm180 -64.19 -40.13 95.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.1 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -53.95 -57.97 9.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.463 176.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -63.38 -33.55 75.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.18 -177.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.574 ' O ' HG21 ' A' ' 19' ' ' VAL . . . -59.5 -60.85 3.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.818 177.183 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.496 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 61.8 t -63.87 -39.98 87.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.639 -178.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.512 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 40.6 ttt-85 -55.45 -52.01 65.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.377 177.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.454 ' HE1' HG22 ' A' ' 36' ' ' ILE . 34.2 ttp -60.72 -36.93 80.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.847 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.574 HG21 ' O ' ' A' ' 15' ' ' ALA . 98.8 t -60.76 -49.81 83.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.641 0.258 . . . . 0.0 110.383 176.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 78.3 mt -61.75 -48.12 82.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.292 -177.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 17' ' ' ARG . 39.5 mt-10 -73.82 -14.34 61.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.711 -174.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.2 m -92.69 -27.69 17.11 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 172.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -67.17 -26.96 66.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.513 178.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.42 -13.09 59.98 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.478 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -111.69 -48.89 3.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.851 0.358 . . . . 0.0 110.643 178.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -65.34 155.19 36.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.568 0.699 . . . . 0.0 112.667 -174.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -76.5 -35.14 58.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.332 -177.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.6 t -125.11 143.11 51.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.191 -175.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -74.13 -23.56 59.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.49 176.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 64.4 t90 -72.35 -36.76 68.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.545 174.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.95 -38.44 91.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.01 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.8 p -69.3 -50.02 50.61 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.786 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.5 mt -56.85 -46.11 83.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.8 0.333 . . . . 0.0 110.929 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.9 t -65.17 -23.77 67.2 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.428 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.0 m -92.68 -22.26 19.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.807 0.337 . . . . 0.0 111.24 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.454 HG22 ' HE1' ' A' ' 18' ' ' MET . 79.2 mt -93.35 -27.03 4.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.011 0.434 . . . . 0.0 111.027 -177.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.431 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . . . -50.4 -53.71 42.28 Favored Pre-proline 0 CA--C 1.541 0.602 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.343 177.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.431 ' HD3' ' HB2' ' A' ' 37' ' ' ALA . 74.4 Cg_endo -73.57 -0.74 9.72 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.139 1.893 . . . . 0.0 113.229 -179.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -86.9 -28.44 22.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.176 0.513 . . . . 0.0 109.98 177.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.9 mt -106.21 -41.37 6.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.477 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.25 19.85 8.21 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 -176.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.3 p -105.64 147.8 28.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.684 0.278 . . . . 0.0 110.987 -177.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.506 ' HB ' ' OG1' ' A' ' 46' ' ' THR . 36.8 m -69.96 138.67 87.67 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.059 177.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -49.09 -40.42 41.57 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.991 2.46 . . . . 0.0 113.19 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.493 ' O ' HG21 ' A' ' 49' ' ' VAL . 6.6 mm-40 -68.27 -32.55 72.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.923 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.506 ' OG1' ' HB ' ' A' ' 43' ' ' THR . 2.1 m -69.79 -41.99 74.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.216 0.531 . . . . 0.0 109.785 177.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.572 HD13 HG23 ' A' ' 19' ' ' VAL . 1.1 tm? -59.08 -43.15 91.79 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.509 -0.769 . . . . 0.0 108.931 175.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -55.74 -38.13 69.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.067 178.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.493 HG21 ' O ' ' A' ' 45' ' ' GLU . 84.3 t -64.52 -45.89 94.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.978 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.467 ' HE3' HD23 ' A' ' 47' ' ' LEU . 17.0 m0 -63.77 -33.36 75.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.943 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.546 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 84.8 t -62.49 -45.93 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.117 175.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -60.94 -42.99 99.28 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.84 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -60.74 -37.7 82.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.785 0.326 . . . . 0.0 110.145 179.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -67.22 -48.21 68.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.006 179.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 51' ' ' VAL . 5.5 mm-40 . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.6 -177.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 . . . . . 0 CA--C 1.527 0.087 0 CA-C-O 120.964 0.411 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.2 t -67.08 -43.26 88.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.562 -179.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -65.2 -36.05 82.97 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.855 HE21 ' HA ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -66.3 -46.71 76.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.32 176.791 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -57.97 -53.52 57.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.395 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.475 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -58.93 -59.67 5.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.564 -0.743 . . . . 0.0 112.163 -174.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.4 t -58.46 -41.14 80.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.448 -175.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.4 ttp85 -62.34 -45.08 94.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.697 -178.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.555 ' HG2' HD11 ' A' ' 36' ' ' ILE . 50.5 ttm -68.89 -31.7 70.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.877 -178.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 15' ' ' ALA . 77.7 t -65.22 -52.71 49.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.415 175.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.1 mt -58.28 -41.92 85.41 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.943 0.401 . . . . 0.0 110.675 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -56.24 -48.24 76.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.832 178.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.426 ' HB2' HG21 ' A' ' 32' ' ' THR . 16.1 m -77.23 -24.8 51.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -178.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -68.1 -19.72 64.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.308 0.575 . . . . 0.0 109.975 175.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.98 -1.77 69.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.789 173.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -117.92 -53.96 2.35 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 178.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -77.25 144.17 38.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.557 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -89.8 -14.63 34.07 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.426 0.631 . . . . 0.0 109.625 176.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.0 t -103.64 129.02 50.87 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.643 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.443 ' NE2' HG12 ' A' ' 51' ' ' VAL . 59.8 tp60 -67.22 -39.86 86.31 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.62 176.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 18.9 m-90 -68.81 -40.9 79.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.963 -176.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.56 -30.62 68.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.94 0.4 . . . . 0.0 110.669 176.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.426 HG21 ' HB2' ' A' ' 22' ' ' SER . 27.4 m -76.75 -44.17 34.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.616 178.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.443 HG21 HD23 ' A' ' 47' ' ' LEU . 83.9 mt -61.42 -48.18 90.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.003 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 80.5 m -69.43 -13.44 62.36 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -175.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.9 p -98.73 -38.82 8.93 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.438 179.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.555 HD11 ' HG2' ' A' ' 18' ' ' MET . 50.0 mm -79.64 -38.2 19.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.881 -175.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.505 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . . . -54.63 -54.78 45.11 Favored Pre-proline 0 CA--C 1.539 0.541 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -176.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.505 ' HD3' ' HB2' ' A' ' 37' ' ' ALA . 71.8 Cg_endo -75.71 -9.9 19.92 Favored 'Trans proline' 0 C--N 1.357 0.974 0 C-N-CA 122.103 1.869 . . . . 0.0 112.261 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -81.22 -40.71 23.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.429 0.633 . . . . 0.0 109.938 177.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.427 ' CD1' ' HA ' ' A' ' 15' ' ' ALA . 66.0 mt -83.01 -42.85 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.444 177.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.6 47.27 0.58 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.081 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 62.2 m -139.08 160.9 38.69 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.6 p -78.24 141.35 61.98 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-O 120.64 0.257 . . . . 0.0 110.963 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.53 -37.12 90.28 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 123.262 2.642 . . . . 0.0 112.928 -177.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.522 ' O ' HG22 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -71.55 -32.61 68.32 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.396 -178.15 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 97.1 m -71.41 -40.0 70.76 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.443 HD23 HG21 ' A' ' 33' ' ' ILE . 41.4 tp -62.86 -40.19 96.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.192 177.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -56.28 -44.44 79.79 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.733 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 45' ' ' GLU . 81.2 t -59.3 -45.48 93.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 37.3 m0 -62.59 -39.09 92.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.262 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.443 HG12 ' NE2' ' A' ' 29' ' ' GLN . 94.2 t -64.73 -47.93 86.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.765 178.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -61.13 -39.71 91.08 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.018 177.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -63.33 -51.42 66.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.062 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -61.41 -35.8 78.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.766 0.317 . . . . 0.0 111.041 -178.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.147 178.647 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.689 0.281 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.1 t -63.19 -43.26 98.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.15 -177.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.462 ' O ' HG22 ' A' ' 16' ' ' VAL . 54.7 mtm180 -58.1 -56.01 27.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.739 -178.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -65.72 -36.74 84.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.042 -176.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -59.83 -47.72 84.57 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.358 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.516 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -66.79 -49.58 65.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.261 -179.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 12' ' ' ARG . 97.5 t -58.05 -47.61 86.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.253 -178.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -64.09 -35.32 80.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.896 0.379 . . . . 0.0 110.608 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 46.4 ttm -66.33 -39.87 89.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.911 177.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.516 HG22 ' O ' ' A' ' 15' ' ' ALA . 84.3 t -62.28 -47.09 94.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.367 175.371 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 92.4 mt -59.53 -49.29 78.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.333 -178.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -58.66 -39.41 80.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.892 0.377 . . . . 0.0 111.025 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.452 ' HB2' HG22 ' A' ' 32' ' ' THR . 16.7 m -80.26 -21.58 42.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.179 -178.371 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -74.39 -20.86 59.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.297 0.57 . . . . 0.0 109.584 175.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.68 -13.55 75.29 Favored Glycine 0 N--CA 1.449 -0.459 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 172.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -89.31 -58.0 2.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.282 0.563 . . . . 0.0 110.353 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -100.01 -175.45 2.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.929 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -118.89 0.91 11.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.453 0.644 . . . . 0.0 109.434 173.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.473 ' HG ' ' HE3' ' A' ' 30' ' ' TRP . 34.7 t -112.69 115.4 28.5 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.951 -176.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -67.65 -28.31 67.6 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 173.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.473 ' HE3' ' HG ' ' A' ' 28' ' ' SER . 5.6 m-90 -61.0 -51.3 69.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.461 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.44 -37.68 88.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.717 178.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.452 HG22 ' HB2' ' A' ' 22' ' ' SER . 90.7 m -61.43 -57.38 12.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.95 178.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 98.2 mt -62.41 -37.65 79.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.228 -177.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.0 t -63.11 -22.48 66.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.228 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.9 m -90.84 -23.94 20.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.931 0.396 . . . . 0.0 110.939 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.1 mt -89.68 -34.14 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.21 -176.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.568 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -53.38 -51.86 71.79 Favored Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -178.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.568 ' HD3' ' HB1' ' A' ' 37' ' ' ALA . 6.4 Cg_exo -75.82 -10.42 19.9 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.339 2.026 . . . . 0.0 112.462 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -80.7 -39.46 27.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.103 0.478 . . . . 0.0 110.152 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.6 mt -89.0 -46.31 15.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.059 177.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.42 48.87 0.95 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.549 -177.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.7 p -144.12 167.02 23.38 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 -178.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.402 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 1.3 p -70.0 138.5 87.53 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.363 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 43' ' ' THR . 68.2 Cg_exo -51.85 -43.21 53.26 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.509 2.806 . . . . 0.0 113.954 -176.234 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.422 ' O ' HG21 ' A' ' 49' ' ' VAL . 42.8 mt-10 -62.18 -27.13 68.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.631 0.253 . . . . 0.0 111.259 -176.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.4 m -64.1 -36.0 82.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.299 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.492 ' O ' HG22 ' A' ' 51' ' ' VAL . 3.4 mm? -61.25 -46.67 89.43 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.431 178.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -61.08 -33.9 74.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.679 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.452 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 86.7 t -60.4 -51.97 66.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.958 178.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 29.3 m0 -62.93 -39.8 95.67 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.783 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 47' ' ' LEU . 89.9 t -65.04 -42.19 93.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.359 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -62.92 -34.08 76.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.327 -179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' A' ' 49' ' ' VAL . 97.7 mt-30 -60.38 -46.34 90.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.128 174.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -66.0 -45.16 82.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.159 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.728 -176.289 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.274 0 CA-C-O 120.788 0.328 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.443 HG22 HH22 ' A' ' 14' ' ' ARG . 79.7 t -64.56 -42.79 96.16 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.22 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.738 177.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.406 ' O ' HG22 ' A' ' 16' ' ' VAL . 61.4 ttp180 -56.63 -49.06 76.09 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.131 -178.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -62.04 -43.41 98.9 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.158 0.504 . . . . 0.0 110.761 -178.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.443 HH22 HG22 ' A' ' 11' ' ' VAL . 35.4 ttp-105 -68.89 -42.46 76.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.99 -178.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.488 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -59.75 -45.53 91.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.554 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 12' ' ' ARG . 90.1 t -61.77 -39.83 84.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.876 0.369 . . . . 0.0 110.419 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -66.64 -37.28 84.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.177 177.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.8 mmt -59.57 -43.28 93.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.696 175.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.495 ' O ' ' HB2' ' A' ' 23' ' ' GLN . 85.9 t -56.9 -45.77 83.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.46 178.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.1 mt -69.72 -41.44 75.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.035 0.445 . . . . 0.0 110.816 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -57.8 -49.87 75.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.497 -178.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.531 ' HB3' HG23 ' A' ' 32' ' ' THR . 8.1 t -81.88 -13.85 57.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.344 -178.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.495 ' HB2' ' O ' ' A' ' 19' ' ' VAL . 34.6 tt0 -67.17 -25.34 66.11 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.616 0.722 . . . . 0.0 109.392 173.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.66 -6.17 76.3 Favored Glycine 0 CA--C 1.523 0.582 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.679 173.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -113.24 -57.41 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.671 -0.311 . . . . 0.0 110.937 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.406 ' HB2' ' HG1' ' A' ' 32' ' ' THR . 46.5 m-85 -69.94 137.94 51.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.629 0.252 . . . . 0.0 110.518 177.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -75.75 -38.58 58.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.109 0.481 . . . . 0.0 109.909 178.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 p -104.59 126.96 52.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.562 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -65.54 -19.86 66.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.375 -175.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -61.28 -47.13 87.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.985 0.422 . . . . 0.0 110.23 177.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.96 -34.8 78.93 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.35 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.531 HG23 ' HB3' ' A' ' 22' ' ' SER . 13.3 m -55.62 -58.37 8.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.67 176.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.625 HG22 HD21 ' A' ' 47' ' ' LEU . 71.7 mt -62.06 -36.46 74.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.824 -178.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.2 t -61.37 -40.79 95.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.665 -177.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.5 m -80.36 -28.49 38.02 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -176.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 32' ' ' THR . 74.3 mt -79.17 -27.14 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.809 0.338 . . . . 0.0 111.515 -176.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.583 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -54.79 -53.71 57.66 Favored Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -177.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.583 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 5.6 Cg_exo -77.65 -7.83 16.81 Favored 'Trans proline' 0 C--N 1.356 0.974 0 C-N-CA 122.334 2.022 . . . . 0.0 112.163 -179.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -74.22 -39.56 63.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.169 0.509 . . . . 0.0 110.098 178.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.9 mt -96.53 -41.46 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.414 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.61 48.88 0.57 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.066 -178.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 83.5 m -141.95 174.09 10.91 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.0 p -93.25 148.37 35.5 Favored Pre-proline 0 C--N 1.318 -0.781 0 C-N-CA 121.182 -0.207 . . . . 0.0 110.732 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.94 -35.75 90.35 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.88 2.387 . . . . 0.0 112.443 -178.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.526 ' O ' HG22 ' A' ' 49' ' ' VAL . 11.5 mm-40 -61.37 -43.59 98.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.293 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.4 m -65.16 -43.23 92.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.894 0.378 . . . . 0.0 110.713 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.625 HD21 HG22 ' A' ' 33' ' ' ILE . 53.0 tp -65.75 -38.43 89.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.425 178.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -58.28 -42.73 87.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.497 177.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' ' 45' ' ' GLU . 91.2 t -64.13 -42.83 96.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.009 178.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 48.5 m0 -59.43 -41.33 89.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.813 0.339 . . . . 0.0 111.089 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.443 HG21 ' O ' ' A' ' 47' ' ' LEU . 57.9 t -62.3 -48.92 86.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.557 178.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 36.6 ttm-85 -63.21 -38.28 90.56 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.151 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -66.78 -30.16 70.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.697 0.284 . . . . 0.0 110.93 177.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -71.15 -32.1 68.53 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 175.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 . . . . . 0 C--N 1.33 -0.24 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 174.412 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 N--CA 1.464 0.261 0 CA-C-O 120.733 0.301 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.437 HG11 HG23 ' A' ' 40' ' ' ILE . 88.2 t -63.41 -43.8 98.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.519 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -64.51 -46.84 81.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.184 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -62.46 -41.67 98.92 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.496 178.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.427 ' O ' ' HG3' ' A' ' 18' ' ' MET . 5.7 tpp180 -56.75 -51.54 68.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.33 178.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.505 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -56.26 -54.3 47.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.372 -177.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 72.5 t -57.31 -44.67 84.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.497 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 47.7 ttt85 -63.98 -46.21 85.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.947 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.427 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 87.8 mtp -61.11 -35.78 77.94 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.907 0.384 . . . . 0.0 110.92 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 15' ' ' ALA . 69.7 t -63.76 -42.3 95.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.422 176.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.8 mt -67.35 -42.51 83.39 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.844 0.354 . . . . 0.0 110.776 179.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' A' ' 17' ' ' ARG . 44.7 mt-10 -57.76 -44.83 86.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.038 177.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.479 ' HB2' HG22 ' A' ' 32' ' ' THR . 16.4 m -78.77 -16.73 56.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.99 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.639 HE22 ' HB2' ' A' ' 29' ' ' GLN . 5.1 tp-100 -67.84 -28.93 67.98 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 175.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.59 3.52 59.44 Favored Glycine 0 CA--C 1.523 0.543 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.484 174.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -121.71 -45.57 2.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.982 0.42 . . . . 0.0 110.475 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -85.86 154.57 21.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.46 177.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -91.19 -21.81 20.95 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.37 0.605 . . . . 0.0 109.497 175.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.3 m -127.12 117.33 22.19 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.001 -178.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.639 ' HB2' HE22 ' A' ' 23' ' ' GLN . 10.2 tt0 -59.97 -19.03 50.03 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.108 178.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.9 t-105 -52.58 -45.57 66.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.531 177.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.59 -30.25 59.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.822 -178.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.479 HG22 ' HB2' ' A' ' 22' ' ' SER . 7.2 m -62.2 -49.23 76.61 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.972 -179.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.828 HG21 HD21 ' A' ' 47' ' ' LEU . 98.8 mt -55.68 -47.83 78.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.077 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 54.3 m -69.72 -15.04 63.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.646 -0.707 . . . . 0.0 112.117 -174.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.2 m -98.13 -36.19 10.15 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.715 -177.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.3 mt -85.66 -28.64 6.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.637 0.256 . . . . 0.0 111.512 -175.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.402 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -53.03 -52.81 61.96 Favored Pre-proline 0 CA--C 1.539 0.556 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.402 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 55.6 Cg_endo -69.64 -14.05 35.89 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.019 1.813 . . . . 0.0 113.209 -178.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -72.92 -49.64 28.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.995 0.426 . . . . 0.0 110.581 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.437 HG23 HG11 ' A' ' 11' ' ' VAL . 37.4 mt -86.74 -24.52 6.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.129 0.49 . . . . 0.0 110.361 -178.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.09 43.09 6.43 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.562 -179.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 86.4 m -122.54 152.22 40.59 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.908 0.385 . . . . 0.0 110.487 -178.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.409 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -66.72 125.56 90.86 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.322 179.333 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 43' ' ' THR . 32.7 Cg_exo -59.23 -30.24 92.45 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.91 2.407 . . . . 0.0 112.109 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -64.56 -40.94 96.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.565 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.4 m -67.48 -32.9 74.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.324 178.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.828 HD21 HG21 ' A' ' 33' ' ' ILE . 49.6 tp -63.76 -37.64 88.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.054 178.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 36.3 mtt180 -58.76 -38.97 79.65 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.229 0.538 . . . . 0.0 110.139 175.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.6 t -66.12 -42.89 92.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.583 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 30.9 m0 -61.13 -36.15 78.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.836 178.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 47' ' ' LEU . 87.9 t -59.42 -49.65 82.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.138 175.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -60.95 -53.12 61.13 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.473 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -61.15 -45.52 94.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.621 -173.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -66.9 -48.55 68.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.532 0.206 . . . . 0.0 111.349 -175.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 . . . . . 0 C--N 1.324 -0.533 0 CA-C-O 120.841 0.353 . . . . 0.0 111.199 -174.544 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 . . . . . 0 N--CA 1.455 -0.213 0 CA-C-O 120.755 0.312 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.4 t -69.22 -44.3 80.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.311 -178.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -62.23 -41.8 98.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.511 178.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -66.38 -47.83 72.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.554 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -60.89 -37.41 82.11 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.497 ' O ' HG21 ' A' ' 19' ' ' VAL . . . -56.8 -60.61 3.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 178.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.6 t -58.95 -40.19 79.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.548 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -55.78 -54.21 47.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.41 178.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 70.7 mtm -66.49 -31.29 71.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.566 -175.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.497 HG21 ' O ' ' A' ' 15' ' ' ALA . 96.8 t -66.31 -40.57 87.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.874 0.369 . . . . 0.0 110.865 177.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.6 mt -68.14 -47.57 67.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.343 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -66.47 -28.83 68.89 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -176.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.2 p -80.89 -32.14 34.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.123 0.487 . . . . 0.0 110.194 176.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.4 -19.93 65.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.541 175.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.4 -13.94 61.28 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.77 175.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -119.47 -45.55 2.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.91 0.355 . . . . 0.0 110.933 178.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -78.82 136.1 37.25 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.111 178.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -70.66 -44.09 67.78 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.208 0.527 . . . . 0.0 110.669 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.6 t -89.58 122.18 32.48 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.349 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.558 ' O ' HG13 ' A' ' 33' ' ' ILE . 52.6 tt0 -74.48 -22.21 59.2 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -66.41 -29.39 69.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.65 175.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.6 -32.15 63.94 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.091 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.0 p -77.96 -31.06 50.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.809 0.338 . . . . 0.0 110.353 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 29' ' ' GLN . 75.8 mt -56.73 -49.37 78.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 177.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.7 p -80.07 -7.63 58.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.79 0.328 . . . . 0.0 111.215 -179.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.402 ' O ' ' HD2' ' A' ' 38' ' ' PRO . 22.3 t -92.36 -37.56 12.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.991 0.425 . . . . 0.0 110.534 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.8 mp -87.45 -22.44 6.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.987 -178.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.519 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . . . -49.19 -48.81 72.87 Favored Pre-proline 0 CA--C 1.542 0.667 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 178.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.519 ' HD3' ' HB2' ' A' ' 37' ' ' ALA . 20.2 Cg_exo -66.22 -21.82 54.54 Favored 'Trans proline' 0 C--N 1.358 1.051 0 C-N-CA 122.068 1.845 . . . . 0.0 112.643 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -75.95 -32.27 59.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.041 0.448 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.6 mt -89.3 -36.53 8.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.932 176.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.52 36.87 4.7 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -176.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.556 ' HG ' ' HZ3' ' A' ' 50' ' ' TRP . 23.0 p -129.27 173.59 10.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.076 0.465 . . . . 0.0 111.069 -176.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.4 m -87.34 144.44 35.89 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.253 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -43.37 -44.3 10.45 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.116 2.544 . . . . 0.0 112.93 175.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.51 ' O ' HG22 ' A' ' 49' ' ' VAL . 8.9 tp10 -58.47 -46.93 85.64 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.886 0.374 . . . . 0.0 110.864 176.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.6 m -58.04 -39.4 78.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.859 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.503 HD22 ' HA ' ' A' ' 33' ' ' ILE . 41.8 tp -68.01 -38.09 82.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.207 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.404 HH21 ' CD ' ' A' ' 45' ' ' GLU . 28.5 ttp180 -66.48 -32.89 74.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.262 177.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.586 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 90.5 t -59.58 -46.55 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.597 176.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.556 ' HZ3' ' HG ' ' A' ' 42' ' ' CYS . 9.2 m0 -62.71 -39.37 93.81 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.894 0.378 . . . . 0.0 110.843 178.247 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 47' ' ' LEU . 89.8 t -64.3 -40.36 88.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.22 176.139 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -64.49 -36.35 83.9 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.655 178.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 84.0 mm-40 -62.01 -44.48 96.64 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 176.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -70.81 -29.39 65.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.51 178.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.149 176.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 14' ' ' ARG . 28.1 mt-10 . . . . . 0 N--CA 1.455 -0.199 0 CA-C-O 120.534 0.206 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 87.9 t -61.34 -51.6 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.185 -176.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.0 mtm-85 -66.86 -33.54 75.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.952 0.406 . . . . 0.0 110.702 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.6 tm0? -66.13 -52.9 44.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.803 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 95.3 mtt180 -69.08 -28.27 66.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.777 -178.24 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.518 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -61.31 -55.13 35.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.861 178.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.77 -36.19 74.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.374 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.5 mmm-85 -56.31 -52.62 63.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.792 174.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.401 ' HE1' ' HB2' ' A' ' 18' ' ' MET . 40.8 ttm -61.71 -36.55 81.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.364 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 15' ' ' ALA . 70.1 t -61.2 -47.78 91.97 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.295 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.839 176.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.14 -43.8 98.03 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.727 0.299 . . . . 0.0 111.238 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.47 -42.87 97.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.04 0.448 . . . . 0.0 110.854 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.514 ' HB2' HG23 ' A' ' 32' ' ' THR . 48.2 m -78.87 -21.19 47.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -68.65 -31.61 70.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.054 0.454 . . . . 0.0 110.314 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.41 -16.15 73.37 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.254 175.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -100.95 -47.35 4.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.939 0.399 . . . . 0.0 110.422 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -85.9 119.62 26.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.477 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.46 -54.29 42.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.244 178.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.429 ' HB3' ' HE3' ' A' ' 30' ' ' TRP . 19.5 m -88.86 127.44 35.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.46 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.419 ' O ' HG13 ' A' ' 33' ' ' ILE . 32.2 tt0 -58.76 -31.26 68.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.221 -178.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.429 ' HE3' ' HB3' ' A' ' 28' ' ' SER . 25.3 m-90 -62.45 -38.56 90.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.14 -34.98 79.29 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.084 0.469 . . . . 0.0 109.94 177.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.514 HG23 ' HB2' ' A' ' 22' ' ' SER . 22.5 m -62.84 -47.61 82.63 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.211 174.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.544 HG22 HD21 ' A' ' 47' ' ' LEU . 70.1 mt -60.82 -49.69 83.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.146 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 86.3 m -65.27 -16.89 64.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.796 -178.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.5 t -87.51 -43.62 11.89 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.894 0.378 . . . . 0.0 110.57 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -88.92 -26.75 5.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -171.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.506 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -55.25 -56.2 31.22 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -178.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.506 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 69.2 Cg_endo -74.87 -14.18 21.54 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 121.593 1.529 . . . . 0.0 111.844 178.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -72.48 -49.41 33.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.689 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.4 mt -83.1 -38.34 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.491 177.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.61 39.84 1.84 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.386 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.1 p -127.31 158.36 37.42 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 33.3 p -75.09 132.72 76.36 Favored Pre-proline 0 C--N 1.32 -0.692 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.372 177.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -51.94 -34.48 56.51 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.495 2.797 . . . . 0.0 112.645 -178.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.447 ' O ' HG23 ' A' ' 49' ' ' VAL . 4.6 mp0 -64.92 -39.35 93.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.96 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.0 m -76.31 -35.21 58.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.015 0.436 . . . . 0.0 110.216 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.544 HD21 HG22 ' A' ' 33' ' ' ILE . 48.9 tp -62.98 -39.85 95.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.075 177.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -56.68 -40.39 75.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.299 175.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.53 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 97.5 t -62.59 -51.0 77.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.257 -178.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 30.5 m0 -59.05 -37.33 76.76 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 120.688 0.28 . . . . 0.0 111.197 -177.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.5 t -64.95 -50.0 77.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.107 176.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -62.23 -30.62 71.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.476 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 17.5 mm100 -68.49 -36.48 78.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.69 0.281 . . . . 0.0 110.83 177.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -83.01 -9.91 59.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.124 0.488 . . . . 0.0 110.806 178.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.719 178.79 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 120.387 0.137 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.551 ' HB ' ' OG1' ' A' ' 5' ' ' THR . 14.9 p -65.12 127.11 30.3 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.993 0.425 . . . . 0.0 110.866 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -96.79 109.28 21.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.074 -175.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 64.7 t30 61.76 23.14 13.53 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.067 176.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.551 ' OG1' ' HB ' ' A' ' 2' ' ' THR . 14.0 m -76.14 99.01 4.53 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.126 0.489 . . . . 0.0 110.394 177.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 6' ' ' ARG . 16.8 ptt180 -149.91 -174.82 4.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.249 -177.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -76.73 163.31 26.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.738 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.5 p -81.05 140.57 49.81 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.018 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.548 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 18.2 Cg_endo -60.35 -48.65 11.07 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.635 2.223 . . . . 0.0 112.573 -178.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -55.21 -51.67 65.81 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.646 -177.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 88.0 t -63.25 -39.77 86.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.983 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -63.15 -49.74 73.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.69 0.281 . . . . 0.0 110.734 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 9' ' ' PRO . 10.5 mm100 -63.52 -42.17 98.47 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.837 0.351 . . . . 0.0 110.634 -178.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -65.33 -37.07 85.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.108 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.529 ' O ' HG21 ' A' ' 19' ' ' VAL . . . -60.92 -54.24 47.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.698 177.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.89 -35.45 60.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.586 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.7 ttt-85 -63.15 -49.19 75.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.246 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 51.3 ttm -61.39 -32.36 72.28 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.911 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.529 HG21 ' O ' ' A' ' 15' ' ' ALA . 84.1 t -61.29 -47.67 92.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.101 175.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.73 -43.11 94.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.388 178.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -53.32 -42.02 66.27 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.387 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.5 ' HB2' HG22 ' A' ' 32' ' ' THR . 15.9 m -85.04 -14.88 45.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.708 -177.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' A' ' 19' ' ' VAL . 56.3 mt-30 -72.82 -25.74 61.24 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.995 0.426 . . . . 0.0 110.391 174.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.89 -37.17 94.46 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.365 171.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -82.4 -52.97 6.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.959 0.409 . . . . 0.0 110.737 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -106.67 123.73 48.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.337 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -86.77 -12.08 49.14 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.175 0.512 . . . . 0.0 110.257 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.9 m -85.94 106.97 17.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.887 175.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -56.27 -41.84 76.48 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.83 -171.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 6.6 m0 -63.01 -42.48 99.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.995 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.53 -40.56 87.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.175 0.512 . . . . 0.0 110.454 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.5 HG22 ' HB2' ' A' ' 22' ' ' SER . 19.8 m -63.92 -57.87 8.46 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.981 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.431 HG22 HD23 ' A' ' 47' ' ' LEU . 74.7 mt -63.28 -45.0 99.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.034 -173.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.1 t -64.85 -23.95 67.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.903 -174.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.0 m -89.86 -27.34 19.98 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.698 0.258 . . . . 0.0 111.698 -176.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.8 mt -85.4 -35.34 9.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.645 0.259 . . . . 0.0 111.601 -175.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.532 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -49.91 -52.35 52.95 Favored Pre-proline 0 CA--C 1.543 0.699 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -175.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.532 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.7 Cg_exo -66.7 -11.54 32.32 Favored 'Trans proline' 0 C--N 1.359 1.129 0 C-N-CA 122.428 2.085 . . . . 0.0 113.245 -176.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -85.9 -39.12 17.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.105 0.478 . . . . 0.0 110.737 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 62.8 mt -85.64 -29.77 6.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.583 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.11 47.64 1.22 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.796 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 14.7 p -145.99 172.9 12.7 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.3 p -92.62 148.65 36.61 Favored Pre-proline 0 C--N 1.321 -0.635 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.472 176.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.5 -31.99 95.5 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.49 2.127 . . . . 0.0 111.532 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.495 ' O ' HG21 ' A' ' 49' ' ' VAL . 30.1 mt-10 -63.5 -45.61 89.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.637 178.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.8 m -71.92 -39.35 69.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.619 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.431 HD23 HG22 ' A' ' 33' ' ' ILE . 44.2 tp -62.24 -37.81 86.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.304 178.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -61.55 -41.94 98.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.511 176.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.495 HG21 ' O ' ' A' ' 45' ' ' GLU . 95.4 t -62.06 -42.0 93.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.775 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 42.5 m0 -60.62 -43.64 97.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.095 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 47' ' ' LEU . 62.1 t -64.47 -42.37 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.475 178.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -65.46 -39.83 92.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.673 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -67.89 -38.06 82.53 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -68.23 -19.35 64.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.56 178.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -72.03 -44.62 63.1 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 173.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.428 ' HA ' ' HD3' ' A' ' 56' ' ' ARG . 4.9 mmt180 -77.88 -3.83 43.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.629 179.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -63.13 -37.58 87.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.119 174.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.2 m -71.07 -15.31 62.52 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.562 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.63 74.72 2.22 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.103 -0.57 . . . . 0.0 112.368 -178.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -92.47 126.84 8.7 Favored Glycine 0 N--CA 1.443 -0.884 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.125 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -153.95 167.47 29.62 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -166.53 125.12 1.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.499 0.499 . . . . 0.0 110.789 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.71 106.37 2.05 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.258 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 179.96 76.3 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.508 -0.637 . . . . 0.0 111.508 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.8 mp -101.42 137.63 39.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.911 0.386 . . . . 0.0 110.789 -177.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.0 m -69.89 129.14 38.71 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.26 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.8 p -91.38 143.8 26.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.258 0.551 . . . . 0.0 111.83 -175.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.13 95.02 8.27 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.944 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -76.99 -67.11 0.74 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.236 -176.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.8 ttt85 -120.54 -28.21 4.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.059 0.457 . . . . 0.0 110.565 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -80.15 113.3 18.22 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 172.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.55 107.97 10.4 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.183 -173.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.1 mt -84.57 173.3 10.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.393 174.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -111.72 117.46 32.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.06 0.457 . . . . 0.0 111.08 -178.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -89.18 113.77 57.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 174.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -79.85 174.24 11.88 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 122.79 2.326 . . . . 0.0 113.094 -175.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.47 ' CD ' ' H ' ' A' ' 78' ' ' ARG . 1.3 tm-20 -88.12 -163.0 0.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.612 178.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.47 ' H ' ' CD ' ' A' ' 77' ' ' GLU . 23.8 ttm180 -76.35 -33.13 58.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.117 0.484 . . . . 0.0 110.389 179.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -72.68 105.89 4.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.68 0.753 . . . . 0.0 111.845 -175.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.07 81.37 6.21 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.332 175.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -87.28 165.79 15.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.773 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.19 157.28 38.03 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.011 -175.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 56.0 tp -134.48 -27.49 1.34 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.391 -175.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.456 ' O ' ' HB3' ' A' ' 85' ' ' ARG . 44.5 ttt180 -71.94 -31.34 66.24 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.258 -173.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.456 ' HB3' ' O ' ' A' ' 84' ' ' ARG . 6.8 ttm180 77.21 131.2 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.548 -178.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.3 m -52.5 128.35 25.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.874 -175.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -79.78 -159.62 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 167.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -83.46 157.62 22.37 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 174.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.514 HG22 HH21 ' A' ' 91' ' ' ARG . 46.5 mm -60.49 -37.12 73.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.683 ' HG ' ' H ' ' A' ' 91' ' ' ARG . 12.3 tp 58.2 -168.67 0.13 Allowed 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.254 173.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.683 ' H ' ' HG ' ' A' ' 90' ' ' LEU . 13.9 mtm105 65.6 13.88 9.17 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 122.838 0.455 . . . . 0.0 110.786 177.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 31.1 tp -80.64 126.99 31.96 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -176.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.15 87.51 0.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.318 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.5 t -126.47 91.07 3.29 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 174.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -139.0 171.76 13.84 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.475 -176.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -92.05 60.83 3.88 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.988 0.423 . . . . 0.0 110.008 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 64.63 115.15 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 114.795 -1.093 . . . . 0.0 112.169 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.82 -26.8 62.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.1 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -89.66 143.95 26.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.752 177.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.74 131.94 41.23 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.511 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -72.36 -50.57 25.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.327 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -92.74 143.61 26.13 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 174.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -82.3 154.68 25.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.277 0.56 . . . . 0.0 111.61 -173.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -149.66 -13.81 0.28 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.243 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 92.1 mt -85.82 80.48 8.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.921 0.391 . . . . 0.0 111.879 -169.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -86.18 -15.1 42.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.26 0.552 . . . . 0.0 109.626 171.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -101.4 142.94 32.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.908 175.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt . . . . . 0 C--O 1.25 1.089 0 CA-C-O 119.102 -0.475 . . . . 0.0 110.554 179.063 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.2 ttm . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.399 0.142 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.6 t -83.43 166.62 18.21 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.02 0.438 . . . . 0.0 111.406 -176.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.41 ' HZ1' ' HB3' ' A' ' 3' ' ' LYS . 8.1 mtpm? -124.5 -173.43 2.78 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -178.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -81.17 104.63 11.78 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 173.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.9 m -78.15 90.19 4.27 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.598 -171.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 66.75 2.5 2.62 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.779 176.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -106.71 101.41 10.85 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.149 0.5 . . . . 0.0 110.145 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.516 ' HB2' HG21 ' A' ' 11' ' ' VAL . 19.6 m -92.38 146.43 32.5 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.927 177.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.37 -41.18 80.77 Favored 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 123.096 2.531 . . . . 0.0 113.823 -175.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -75.02 -15.26 60.65 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.565 -174.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.516 HG21 ' HB2' ' A' ' 8' ' ' SER . 81.8 t -58.72 -34.89 53.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 121.325 0.584 . . . . 0.0 110.047 176.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.472 ' O ' HG22 ' A' ' 16' ' ' VAL . 45.7 ttp180 -61.76 -49.3 76.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.39 178.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -61.4 -41.74 97.61 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.568 178.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.479 ' O ' ' HG2' ' A' ' 18' ' ' MET . 26.0 ttt-85 -59.6 -43.0 93.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.311 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.457 ' HB3' HD13 ' A' ' 40' ' ' ILE . . . -61.51 -42.84 99.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.962 178.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.515 HG23 ' HB3' ' A' ' 50' ' ' TRP . 59.8 t -62.25 -44.13 98.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.736 178.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -62.61 -37.44 86.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.739 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.479 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 96.0 mmm -56.59 -46.95 80.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.884 0.373 . . . . 0.0 110.331 177.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.479 ' HA ' HG13 ' A' ' 36' ' ' ILE . 47.4 t -63.07 -48.92 85.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.397 178.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.5 mt -59.82 -45.23 93.04 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.893 -177.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -63.03 -41.3 99.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.18 -177.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.0 m -78.09 -27.2 48.43 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.973 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -62.55 -40.59 97.32 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.936 0.398 . . . . 0.0 110.806 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.03 -6.68 89.04 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.732 178.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -92.88 -43.0 9.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.008 0.433 . . . . 0.0 109.834 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -92.03 178.42 5.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.968 176.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -98.9 -45.43 5.98 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.074 0.464 . . . . 0.0 109.939 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.9 m -83.27 120.27 25.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.532 -176.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -67.23 -45.71 75.94 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.873 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -57.9 -50.0 74.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.181 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.22 -43.18 74.25 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.035 177.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.461 ' O ' HG12 ' A' ' 36' ' ' ILE . 73.8 m -59.86 -52.57 64.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.448 177.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.568 HG21 ' HB2' ' A' ' 47' ' ' LEU . 73.2 mt -54.26 -45.03 67.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.276 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.5 t -73.21 -16.86 61.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.609 -176.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.9 m -95.49 -21.5 18.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.776 0.322 . . . . 0.0 111.505 -178.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.479 HG13 ' HA ' ' A' ' 19' ' ' VAL . 47.0 mm -86.19 -27.97 6.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.089 0.471 . . . . 0.0 110.049 177.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.558 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -51.96 -51.95 66.22 Favored Pre-proline 0 CA--C 1.539 0.525 0 CA-C-N 115.439 -0.801 . . . . 0.0 112.697 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.558 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 12.9 Cg_exo -70.23 -21.89 30.69 Favored 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 122.136 1.89 . . . . 0.0 112.525 -178.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -74.89 -33.58 62.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.949 0.404 . . . . 0.0 110.414 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.507 HD11 HD12 ' A' ' 47' ' ' LEU . 62.9 mt -86.8 -43.62 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.311 177.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.92 47.83 0.99 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.804 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 17.0 p -152.33 170.35 20.28 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -178.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.7 p -76.39 148.18 80.11 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.627 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.529 ' HA ' HD23 ' A' ' 47' ' ' LEU . 40.7 Cg_exo -57.58 -24.47 62.26 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.603 2.202 . . . . 0.0 111.983 177.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -60.27 -38.68 84.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.194 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.5 m -66.96 -37.6 84.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.898 -178.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.568 ' HB2' HG21 ' A' ' 33' ' ' ILE . 3.4 mm? -63.37 -38.36 90.86 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.48 178.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.451 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 78.8 mtt180 -57.44 -45.68 84.43 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 177.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 64.2 t -65.25 -44.78 95.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.355 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.515 ' HB3' HG23 ' A' ' 16' ' ' VAL . 26.8 m0 -61.28 -46.77 88.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.579 -178.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 88.7 t -64.56 -44.19 96.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.845 0.355 . . . . 0.0 110.231 178.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.451 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 5.6 tpt180 -58.57 -52.18 66.74 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.425 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -62.86 -38.18 89.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.093 -177.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -63.41 -38.16 90.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.993 178.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.496 ' O ' ' HA3' ' A' ' 59' ' ' GLY . 6.5 mm-40 -73.31 -21.45 60.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.788 0.328 . . . . 0.0 111.432 -179.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -86.25 -34.36 20.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.265 0.555 . . . . 0.0 109.965 173.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -72.62 -56.37 5.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.372 -178.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 m -104.71 27.22 8.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.357 0.599 . . . . 0.0 110.083 -177.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.496 ' HA3' ' O ' ' A' ' 55' ' ' GLU . . . -101.28 90.87 0.89 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.384 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -113.46 107.04 1.87 Allowed Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.808 -0.71 . . . . 0.0 111.774 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -94.97 136.61 35.08 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -162.89 104.93 1.03 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.116 176.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -155.52 174.39 33.58 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.007 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.0 -67.72 1.34 Allowed Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.49 -0.862 . . . . 0.0 111.519 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.3 tp 54.01 37.79 27.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.502 0.667 . . . . 0.0 110.337 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.8 m -80.0 66.72 5.57 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.763 0.792 . . . . 0.0 110.523 -177.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.3 m -130.15 98.45 4.74 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.506 176.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -99.64 169.34 9.34 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.224 -178.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -73.33 111.92 8.9 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 177.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.564 ' O ' ' HB2' ' A' ' 71' ' ' GLN . 9.1 ptp180 -58.65 -53.1 62.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.328 -179.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.564 ' HB2' ' O ' ' A' ' 70' ' ' ARG . 55.9 tp60 157.94 -91.58 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.651 1.18 . . . . 0.0 107.955 177.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.446 ' O ' ' HD3' ' A' ' 72' ' ' ARG . 0.0 OUTLIER 178.16 102.64 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.187 -0.915 . . . . 0.0 108.883 175.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.3 mt -90.29 97.14 11.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.6 -173.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -145.12 -44.96 0.22 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.689 178.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.433 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 51.1 mm-40 -65.52 131.8 94.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.376 176.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 75' ' ' GLU . 31.4 Cg_exo -59.03 -64.33 0.11 Allowed 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 122.856 2.371 . . . . 0.0 113.256 -175.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 60.76 42.72 13.1 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.768 0.794 . . . . 0.0 109.174 -176.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.424 ' HA ' ' HD3' ' A' ' 78' ' ' ARG . 9.9 mmt180 -119.24 -30.89 4.82 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.108 -174.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -71.37 131.08 42.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.62 0.248 . . . . 0.0 110.355 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.744 ' HB3' HH21 ' A' ' 84' ' ' ARG . 65.5 t30 59.41 49.8 8.35 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -175.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -64.78 -44.73 89.05 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.952 -178.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 46.0 mt-10 -91.93 153.17 19.67 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 173.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' A' ' 82' ' ' GLU . 80.5 mt 66.51 25.65 10.08 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.637 0.732 . . . . 0.0 109.091 -170.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.744 HH21 ' HB3' ' A' ' 80' ' ' ASN . 1.3 tpm_? -62.13 132.45 52.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.805 -1.088 . . . . 0.0 111.238 -178.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.4 120.53 32.33 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 172.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.8 m -74.79 108.25 7.41 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.347 0.594 . . . . 0.0 111.334 -175.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -129.63 177.84 6.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.473 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.409 ' O ' ' HB ' ' A' ' 89' ' ' ILE . 7.6 p-10 -84.78 35.02 0.55 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.473 -178.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.409 ' HB ' ' O ' ' A' ' 88' ' ' ASP . 49.7 mm 72.89 151.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.704 178.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.7 mp -60.78 118.34 6.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.083 0.468 . . . . 0.0 110.241 176.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 37.5 ttt-85 -135.83 137.5 41.59 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.363 -178.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 55.1 tp -104.14 -80.58 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.365 -0.38 . . . . 0.0 109.993 176.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -174.06 153.58 2.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.89 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.1 t -104.8 -79.22 0.56 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 176.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.9 142.14 27.82 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 176.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -89.56 19.51 4.53 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -175.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 72.04 -51.59 0.7 Allowed 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 170.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 73.99 -51.1 0.69 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.588 0.755 . . . . 0.0 109.783 -170.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -126.38 110.15 13.03 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 169.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -113.39 13.63 19.02 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.106 0.479 . . . . 0.0 110.676 -176.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -67.14 100.87 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.29 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -66.3 -34.45 78.03 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 175.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 24.0 t0 59.79 78.66 0.26 Allowed 'General case' 0 C--O 1.232 0.165 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.881 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -136.42 25.97 3.17 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.663 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.0 mt -81.72 69.78 8.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.212 -0.903 . . . . 0.0 110.984 -177.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -88.96 164.01 15.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.202 175.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp 70.3 168.17 0.3 Allowed 'General case' 0 C--O 1.235 0.326 0 O-C-N 123.789 0.681 . . . . 0.0 111.245 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 90.2 mttt . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.551 -0.738 . . . . 0.0 109.864 -178.028 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.9 t -99.17 144.64 28.07 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 175.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.517 ' HG2' ' H ' ' A' ' 4' ' ' ASN . 36.2 ttpt -133.86 171.04 14.72 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.517 ' H ' ' HG2' ' A' ' 3' ' ' LYS . 32.0 p30 -63.18 159.58 17.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.259 0.552 . . . . 0.0 111.178 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.1 t -90.81 -179.18 5.44 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.318 176.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.725 HH11 ' HA ' ' A' ' 6' ' ' ARG . 8.2 mmm180 -86.96 -3.0 59.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.248 0.546 . . . . 0.0 110.715 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -83.39 77.8 9.75 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 163.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.9 m -55.49 142.47 60.67 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.738 -170.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -51.05 -43.22 49.33 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.564 2.842 . . . . 0.0 112.696 -178.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.95 -45.54 93.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.677 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.19 -43.93 99.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.527 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.47 ' O ' HG23 ' A' ' 16' ' ' VAL . 61.5 ttp180 -61.06 -46.29 91.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.469 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -65.53 -41.12 93.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.128 0.489 . . . . 0.0 110.156 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -59.88 -43.19 94.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.007 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.495 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -60.76 -46.5 90.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.163 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 12' ' ' ARG . 85.6 t -56.76 -48.04 81.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.797 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -66.71 -41.3 88.19 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.667 177.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.408 ' HG2' HD13 ' A' ' 36' ' ' ILE . 48.2 ttm -56.95 -38.61 73.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.857 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 15' ' ' ALA . 97.8 t -61.94 -53.11 52.32 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.516 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.572 176.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 92.3 mt -62.18 -43.6 98.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.109 0.481 . . . . 0.0 111.154 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -61.71 -36.97 82.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.694 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.5 m -85.93 -23.73 26.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.702 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -59.22 -41.59 89.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.869 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.12 -33.57 80.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.368 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -83.48 -42.05 17.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.716 0.293 . . . . 0.0 111.25 -178.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -66.2 162.83 19.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.742 0.782 . . . . 0.0 112.472 -176.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.78 -40.0 61.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.831 178.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 p -143.29 163.53 32.74 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.925 0.393 . . . . 0.0 111.901 -173.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -59.49 -52.62 64.81 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.94 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -63.1 -36.89 85.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 -175.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.17 -25.44 67.77 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.998 0.428 . . . . 0.0 111.009 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.4 m -80.94 -44.76 17.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.61 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 76.6 mt -66.49 -47.32 84.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.837 -176.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.8 p -69.88 -18.25 63.4 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -172.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.4 p -93.62 -33.22 13.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.735 0.302 . . . . 0.0 111.562 -178.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.408 HD13 ' HG2' ' A' ' 18' ' ' MET . 75.2 mt -83.47 -35.48 11.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.679 -177.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.426 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -52.54 -53.98 47.64 Favored Pre-proline 0 CA--C 1.54 0.59 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -175.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 33.8 Cg_endo -63.48 -22.56 71.07 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.952 1.768 . . . . 0.0 112.129 -179.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -78.7 -20.74 49.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.202 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.8 mt -82.11 -40.23 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.371 0.605 . . . . 0.0 109.769 175.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.15 -9.98 8.85 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.439 -0.8 . . . . 0.0 112.131 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 22.7 p -106.49 -177.57 3.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.767 0.318 . . . . 0.0 110.636 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.1 p -91.08 162.54 32.28 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.923 178.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.48 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 51.0 Cg_exo -55.94 -32.54 86.01 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.796 2.33 . . . . 0.0 112.331 179.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -50.04 -51.46 42.12 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.991 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.2 m -61.2 -42.98 99.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.131 -178.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.412 ' O ' HG21 ' A' ' 51' ' ' VAL . 32.9 tp -69.03 -36.85 78.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -176.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 44' ' ' PRO . 32.1 mtp-105 -55.2 -41.72 72.34 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.932 0.396 . . . . 0.0 110.588 176.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.8 t -65.79 -48.43 82.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.888 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 50.7 m0 -57.51 -47.27 82.4 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.159 -177.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.412 HG21 ' O ' ' A' ' 47' ' ' LEU . 63.6 t -63.42 -47.13 93.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.02 -179.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -65.11 -37.98 89.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.789 -177.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -57.96 -50.57 72.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.022 0.439 . . . . 0.0 110.579 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -66.77 -34.03 76.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.102 -178.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -69.49 -35.01 75.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 53.8 ttm-85 -79.88 -27.97 39.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.066 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -87.99 -53.95 4.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.575 -178.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 34.6 m -83.1 98.2 9.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.153 0.502 . . . . 0.0 111.163 -174.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 144.46 -89.56 0.16 Allowed Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.388 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.1 -81.32 0.56 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.621 -176.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -143.91 98.49 3.24 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 176.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -100.64 12.21 37.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.307 -174.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -94.42 143.59 16.65 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.962 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.15 -97.33 0.11 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.237 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.8 mp -103.16 115.16 30.04 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.912 0.387 . . . . 0.0 110.633 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.4 m -79.94 -53.88 6.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.264 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.7 m 58.62 18.87 6.19 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 121.504 0.669 . . . . 0.0 111.885 176.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.57 97.39 11.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.929 -0.482 . . . . 0.0 110.699 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -169.13 -74.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.938 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 32.8 ttp-105 -101.45 -53.76 2.92 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.237 -172.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -128.0 101.56 6.36 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.206 -178.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -96.77 -39.81 9.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.122 174.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.1 tt -86.88 102.5 14.39 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.62 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -104.38 108.03 19.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.265 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -151.25 92.89 3.69 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.766 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -75.28 157.9 41.36 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 123.07 2.514 . . . . 0.0 111.285 176.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -97.59 -78.66 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.267 0.556 . . . . 0.0 109.631 177.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -141.21 10.88 2.14 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 177.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 50.84 80.83 0.07 Allowed 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.173 -171.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -87.66 -8.54 56.03 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.348 -1.296 . . . . 0.0 111.194 -167.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -100.88 108.53 20.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 0.0 110.34 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -89.92 167.08 13.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.136 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 98.4 mt 69.61 -63.1 0.39 Allowed 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.743 0.652 . . . . 0.0 111.372 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -133.95 130.39 37.61 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -73.26 -177.15 2.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.178 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.5 m -56.24 140.69 43.83 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.961 0.41 . . . . 0.0 112.085 -175.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -93.26 -176.24 4.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.34 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -113.64 -43.74 3.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.903 0.382 . . . . 0.0 110.843 -178.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.3 tp -133.27 137.26 53.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.175 -178.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 90' ' ' LEU . 1.4 pt? -136.66 -19.76 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.955 0.407 . . . . 0.0 111.469 -179.068 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -89.38 -50.09 6.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.021 0.438 . . . . 0.0 110.467 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.813 ' HG ' ' H ' ' A' ' 93' ' ' ALA . 20.9 tp -89.37 -168.54 2.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.217 178.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.813 ' H ' ' HG ' ' A' ' 92' ' ' LEU . . . 64.06 33.09 12.4 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.174 0.511 . . . . 0.0 110.718 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.9 t -101.63 6.32 41.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.566 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -91.23 156.09 18.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.607 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -103.77 132.87 49.63 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.935 176.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -96.38 -69.01 0.77 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.254 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.03 132.75 25.57 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.337 178.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -63.22 -37.32 86.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.688 177.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 75.26 137.11 0.06 Allowed 'General case' 0 N--CA 1.464 0.256 0 O-C-N 124.323 1.015 . . . . 0.0 110.07 -174.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -83.91 98.06 9.57 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.186 0.517 . . . . 0.0 110.35 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -87.2 165.04 16.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.382 175.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.459 ' O ' ' HB2' ' A' ' 104' ' ' ARG . 4.7 t70 70.17 43.53 0.85 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.932 0.77 . . . . 0.0 109.88 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.459 ' HB2' ' O ' ' A' ' 103' ' ' ASP . 87.6 mtm180 73.57 165.49 0.29 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.877 -179.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 60.4 tp -94.33 105.32 17.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.324 178.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.29 36.5 0.47 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.526 178.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm 65.38 103.19 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.768 0.668 . . . . 0.0 111.475 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 45.4 tttm . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.317 -0.849 . . . . 0.0 109.423 -179.553 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.2 tpp . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 120.596 0.236 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.5 t -97.66 -23.56 15.9 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.021 -0.271 . . . . 0.0 110.845 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -70.2 -62.19 1.48 Allowed 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 171.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -139.96 151.09 45.25 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.75 -1.114 . . . . 0.0 109.078 174.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.2 m -106.84 -35.46 6.94 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.602 0.715 . . . . 0.0 109.237 176.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -118.19 129.79 55.71 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.701 -1.136 . . . . 0.0 109.11 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.448 ' HE1' ' HD3' ' A' ' 12' ' ' ARG . 16.6 p90 -74.92 169.22 18.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.954 0.407 . . . . 0.0 112.096 -174.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.418 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 5.8 m -66.56 121.36 76.81 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.156 -170.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 8' ' ' SER . 16.8 Cg_exo -68.53 -30.04 29.57 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 123.381 2.721 . . . . 0.0 113.288 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -65.48 -35.75 81.82 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -178.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.4 t -60.75 -37.52 76.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.272 176.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.448 ' HD3' ' HE1' ' A' ' 7' ' ' PHE . 27.5 mtm180 -69.58 -39.58 77.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.21 178.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -59.92 -42.75 94.63 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.16 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -58.33 -49.0 78.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.464 175.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.562 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -55.97 -53.73 53.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.391 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 12' ' ' ARG . 74.7 t -59.48 -48.59 86.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.324 -178.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.3 mtm180 -65.63 -35.21 80.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.179 -178.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 35.1 ttp -68.53 -32.03 71.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.872 0.368 . . . . 0.0 110.577 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 15' ' ' ALA . 94.4 t -66.85 -43.48 89.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 173.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.51 -44.35 96.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.636 178.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -54.79 -45.22 74.3 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.125 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.5 p -84.12 -26.6 28.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.486 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -64.61 -28.22 69.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.919 0.39 . . . . 0.0 110.586 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.75 1.82 61.2 Favored Glycine 0 CA--C 1.522 0.484 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.349 176.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -119.23 -32.04 4.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.273 0.559 . . . . 0.0 110.183 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -86.62 -170.65 3.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.495 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -114.01 -58.27 2.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.557 177.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.4 m -94.24 135.84 35.19 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.155 -176.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -67.5 -33.04 74.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.208 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.422 ' CH2' ' HD2' ' A' ' 48' ' ' ARG . 72.3 m95 -71.95 -22.37 61.47 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.348 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.66 -32.2 72.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.469 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.3 p -84.25 -43.01 15.3 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.876 177.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.514 ' HA ' HD22 ' A' ' 47' ' ' LEU . 83.1 mt -57.63 -50.63 76.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.495 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.509 ' HA ' ' HB3' ' A' ' 44' ' ' PRO . 67.8 m -72.74 -12.19 60.91 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -175.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.9 t -98.48 -42.89 7.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.743 0.306 . . . . 0.0 110.946 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.5 mt -73.6 -38.72 52.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -174.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.583 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -56.35 -52.61 71.78 Favored Pre-proline 0 CA--C 1.538 0.519 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -177.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.583 ' HD3' ' HB1' ' A' ' 37' ' ' ALA . 17.5 Cg_exo -67.85 -19.97 46.07 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 121.856 1.704 . . . . 0.0 112.227 178.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -76.17 -35.76 59.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.676 177.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 72.6 mt -74.74 -52.85 18.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.176 175.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.94 42.94 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.469 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.3 p -153.64 172.91 16.5 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.1 p -87.44 150.0 47.94 Favored Pre-proline 0 C--N 1.319 -0.753 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 177.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.509 ' HB3' ' HA ' ' A' ' 34' ' ' CYS . 7.9 Cg_endo -49.91 -36.59 44.01 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.687 2.925 . . . . 0.0 114.807 -171.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.92 -27.77 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.091 -174.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.2 m -70.63 -35.8 73.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.135 0.493 . . . . 0.0 110.299 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.514 HD22 ' HA ' ' A' ' 33' ' ' ILE . 51.7 tp -64.55 -36.95 85.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.132 177.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.422 ' HD2' ' CH2' ' A' ' 30' ' ' TRP . 68.8 ttt180 -60.45 -40.7 92.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.43 176.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 57.4 t -59.62 -40.96 83.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.639 178.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 53.2 m0 -66.6 -42.8 86.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.812 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.419 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 99.0 t -61.85 -44.37 98.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 176.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -54.45 -39.19 67.18 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.2 177.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.579 HE21 ' HA ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -61.84 -47.07 86.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.556 178.01 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -68.72 -27.45 65.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -177.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 51' ' ' VAL . 50.7 mt-10 -67.62 -36.65 81.21 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 174.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -60.01 -42.19 93.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.227 177.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -59.39 -33.94 71.82 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 176.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.7 m -76.58 -36.22 57.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.522 -176.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.11 -32.57 10.48 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.952 -177.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.03 -28.86 74.01 Favored Glycine 0 C--N 1.329 0.194 0 C-N-CA 121.324 -0.465 . . . . 0.0 113.217 -177.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -147.46 152.68 38.47 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -60.68 -33.05 72.26 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.774 0.321 . . . . 0.0 111.013 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 148.12 -76.83 0.25 Allowed Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.303 -0.951 . . . . 0.0 113.005 178.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -150.64 29.52 1.04 Allowed Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.293 -0.956 . . . . 0.0 113.215 -176.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.2 tt -89.5 126.48 35.6 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.8 t -151.97 170.55 19.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.542 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 38.5 m -89.78 106.61 18.58 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.147 -177.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -140.33 -72.68 0.36 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.227 176.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 59.41 105.09 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 O-C-N 123.863 0.727 . . . . 0.0 111.21 -177.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.3 mtp85 -78.68 75.63 5.19 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.817 -174.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 64.23 98.23 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.349 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -73.17 -34.83 66.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.255 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.7 mt -99.78 176.23 5.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.979 173.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -72.05 -59.9 2.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.229 0.538 . . . . 0.0 110.432 -178.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -92.2 128.3 45.69 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.093 -177.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -62.03 -36.56 70.19 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.24 1.96 . . . . 0.0 109.972 170.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 53.55 59.81 4.1 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 114.499 -1.228 . . . . 0.0 110.913 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -77.73 73.86 4.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.147 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -82.77 72.83 9.84 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.383 -176.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -152.56 40.05 0.58 Allowed 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.27 -1.382 . . . . 0.0 107.27 174.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -60.83 -39.28 88.44 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.374 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.45 ' HB2' ' NH1' ' A' ' 84' ' ' ARG . 1.9 mp0 -78.57 101.41 7.4 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 171.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 96.1 mt -73.35 86.28 1.48 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.315 0.578 . . . . 0.0 110.566 -176.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.45 ' NH1' ' HB2' ' A' ' 82' ' ' GLU . 12.8 ptt-85 -107.2 37.02 2.49 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.168 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -92.78 159.49 15.38 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.811 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 63.1 m -83.55 97.32 8.97 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 174.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -95.66 -32.56 12.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.78 -178.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -118.21 130.03 55.84 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -178.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 61.8 mt -94.79 104.66 16.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.869 0.366 . . . . 0.0 110.961 -176.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.571 ' HB3' ' HB3' ' A' ' 93' ' ' ALA . 8.0 mp -80.94 84.75 6.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.283 178.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -80.08 -62.54 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.017 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 65.5 tp -94.43 -40.24 10.02 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 173.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.571 ' HB3' ' HB3' ' A' ' 90' ' ' LEU . . . 57.59 40.07 27.1 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.239 177.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.1 p -62.34 101.81 0.26 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 121.306 0.574 . . . . 0.0 110.652 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -89.9 153.02 20.95 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.916 -178.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -84.62 107.26 16.74 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.176 177.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 84.3 t80 67.84 -79.18 0.04 OUTLIER 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.996 0.81 . . . . 0.0 110.082 -172.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 170.36 -176.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -87.7 96.33 10.4 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 171.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.88 152.23 16.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.143 -172.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.8 148.66 26.89 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.324 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -136.17 60.34 1.68 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.338 -0.846 . . . . 0.0 108.863 178.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -99.1 -1.9 38.38 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.146 -177.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.44 ' HA ' ' HD3' ' A' ' 104' ' ' ARG . 3.4 mmt180 -90.96 98.31 11.7 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.601 -177.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.1 tt -135.75 109.58 8.13 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 177.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 25.7 t90 -148.87 167.25 26.2 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 -176.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -61.41 104.62 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.113 0.482 . . . . 0.0 110.929 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 27.1 tptp . . . . . 0 C--O 1.249 1.072 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.586 -177.533 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ttt . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 120.843 0.354 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.3 t -174.46 151.63 1.59 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -89.56 96.1 10.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.158 0.504 . . . . 0.0 111.353 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -115.62 122.4 45.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.598 173.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.1 m -62.14 136.66 58.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.102 -176.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 6' ' ' ARG . 64.8 mtt180 -70.06 116.69 10.73 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 175.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -72.78 118.24 15.47 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.618 -172.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.485 ' HB3' HG21 ' A' ' 11' ' ' VAL . 35.4 t -67.87 136.9 92.33 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.203 175.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.38 -32.36 88.45 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.883 2.389 . . . . 0.0 112.108 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 14' ' ' ARG . 18.7 tp10 -64.63 -40.59 95.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.42 179.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.485 HG21 ' HB3' ' A' ' 8' ' ' SER . 57.5 t -64.64 -42.13 94.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.394 0.616 . . . . 0.0 110.251 179.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.482 ' NH2' ' HG2' ' A' ' 53' ' ' GLN . 38.7 ttt180 -61.15 -44.4 97.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.917 177.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -66.14 -41.39 90.51 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.065 177.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 96.0 mtt180 -56.59 -41.92 77.83 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.092 0.245 . . . . 0.0 110.871 177.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.41 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -56.95 -55.66 31.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.761 178.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.426 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 43.5 t -63.62 -39.79 86.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.782 179.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -59.08 -49.27 78.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.262 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 67.1 mtt -61.41 -42.34 98.57 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 120.812 0.339 . . . . 0.0 110.509 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 15' ' ' ALA . 73.7 t -61.0 -46.36 96.79 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.267 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.776 178.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 85.8 mt -62.78 -45.56 92.09 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.597 0.236 . . . . 0.0 111.148 -179.393 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -62.77 -42.32 99.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.825 0.345 . . . . 0.0 110.463 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' A' ' 25' ' ' GLU . 17.2 m -76.08 -14.91 60.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.629 179.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.693 ' NE2' ' HA ' ' A' ' 29' ' ' GLN . 4.8 tp-100 -83.32 -15.17 51.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.312 0.577 . . . . 0.0 109.568 177.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.54 -6.8 89.11 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 167.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.43 ' HB3' ' O ' ' A' ' 22' ' ' SER . 4.9 tp10 -99.0 -51.43 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.088 -0.556 . . . . 0.0 109.749 178.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -99.58 -176.25 3.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.959 -178.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -116.44 -32.27 5.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.814 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.9 m -87.96 133.03 34.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.984 -177.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.693 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 58.6 tt0 -70.82 -51.01 29.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.881 -173.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.454 ' HD1' ' HD2' ' A' ' 48' ' ' ARG . 27.6 t90 -69.05 -25.76 64.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.605 0.24 . . . . 0.0 110.864 -174.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.73 -34.86 71.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.406 0.622 . . . . 0.0 110.298 176.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.409 ' CG2' ' HB2' ' A' ' 22' ' ' SER . 9.9 m -77.73 -40.38 41.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.107 177.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.607 HG22 ' HB3' ' A' ' 47' ' ' LEU . 50.5 mm -57.93 -49.58 80.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.492 -178.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.1 p -73.64 -5.77 42.51 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -175.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.9 m -98.34 -40.94 8.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.991 0.424 . . . . 0.0 110.808 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.0 mm -83.89 -41.93 16.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.725 -175.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.449 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -53.55 -52.91 62.6 Favored Pre-proline 0 CA--C 1.539 0.555 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -176.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.449 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 37.7 Cg_endo -65.66 -22.61 57.56 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.151 1.901 . . . . 0.0 112.866 -178.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -73.5 -42.3 62.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.834 0.35 . . . . 0.0 110.201 178.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.3 mt -72.03 -34.29 50.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.353 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 112.71 37.79 1.38 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.341 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.3 p -140.16 169.93 16.77 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.403 ' HB ' ' OE2' ' A' ' 45' ' ' GLU . 21.7 p -96.98 151.51 37.78 Favored Pre-proline 0 C--N 1.321 -0.632 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.234 178.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -53.28 -29.16 45.96 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.796 2.997 . . . . 0.0 114.368 -175.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.465 ' O ' HG23 ' A' ' 49' ' ' VAL . 2.4 mp0 -53.3 -54.99 28.36 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.224 0.535 . . . . 0.0 110.566 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.7 m -67.94 -33.39 74.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.287 -175.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.607 ' HB3' HG22 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -61.44 -44.5 97.01 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.454 ' HD2' ' HD1' ' A' ' 30' ' ' TRP . 15.3 mtp180 -65.09 -32.16 73.73 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.327 178.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 45' ' ' GLU . 95.3 t -64.09 -40.96 90.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.455 178.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 34.7 m0 -65.99 -39.94 90.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.955 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 47' ' ' LEU . 60.0 t -64.12 -47.65 89.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.534 178.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.431 ' O ' ' HB3' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -63.85 -29.68 70.85 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.778 178.2 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.482 ' HG2' ' NH2' ' A' ' 12' ' ' ARG . 6.8 tp-100 -66.59 -50.9 61.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.186 177.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.534 ' HA ' ' HB3' ' A' ' 57' ' ' ASP . 84.3 t60 -67.43 -26.31 66.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.325 178.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.431 ' HB3' ' O ' ' A' ' 52' ' ' ARG . 32.8 tt0 -58.65 -48.9 79.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.818 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 66.7 mtm-85 -76.39 -27.43 56.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.139 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.534 ' HB3' ' HA ' ' A' ' 54' ' ' HIS . 4.6 t70 -61.22 -44.92 96.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.758 175.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.811 HG22 ' HB2' ' A' ' 61' ' ' ASP . 17.6 m -80.38 80.42 6.82 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.286 0.565 . . . . 0.0 110.428 178.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -94.79 76.06 0.93 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.121 -177.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.98 31.35 35.46 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.132 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.811 ' HB2' HG22 ' A' ' 58' ' ' THR . 5.8 m-20 -86.71 17.3 4.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.933 0.397 . . . . 0.0 111.413 -178.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -95.05 -7.66 38.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.376 177.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 105.1 -31.92 8.05 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.352 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.28 -68.36 0.54 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.873 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 65' ' ' LEU . 3.9 mm? -105.86 83.32 1.9 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.354 0.597 . . . . 0.0 110.689 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.9 t -92.95 146.61 23.5 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.321 173.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 61.5 m -68.14 -46.02 71.98 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 177.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.618 ' HB3' ' HG3' ' A' ' 71' ' ' GLN . . . 58.15 107.2 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 O-C-N 124.056 0.847 . . . . 0.0 112.437 177.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.435 ' CD ' HH21 ' A' ' 72' ' ' ARG . 9.4 tp10 -65.25 -18.99 65.75 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.928 177.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 70' ' ' ARG . 24.0 mtm180 -79.86 -0.92 36.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.73 -177.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.618 ' HG3' ' HB3' ' A' ' 68' ' ' ALA . 19.0 mt-30 -75.29 2.02 12.2 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.362 178.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.435 HH21 ' CD ' ' A' ' 69' ' ' GLU . 49.4 mtm180 -90.81 -8.23 50.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.164 0.507 . . . . 0.0 110.155 172.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.9 mt -83.84 -46.52 12.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.084 177.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -118.75 139.36 51.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.795 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.48 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 1.2 mp0 -67.01 118.56 56.66 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 176.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 75' ' ' GLU . 21.5 Cg_exo -66.87 -29.64 41.33 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 123.093 2.529 . . . . 0.0 112.63 -177.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -130.72 -155.85 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.194 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.459 ' HG2' ' H ' ' A' ' 79' ' ' GLU . 32.9 ttm180 74.42 170.47 0.29 Allowed 'General case' 0 CA--C 1.532 0.278 0 O-C-N 123.899 0.749 . . . . 0.0 109.475 -175.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.459 ' H ' ' HG2' ' A' ' 78' ' ' ARG . 12.2 mm-40 73.37 -10.45 1.03 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.247 0.619 . . . . 0.0 111.47 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -84.06 -33.46 24.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.031 0.444 . . . . 0.0 110.605 -178.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -104.26 146.08 29.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.185 -178.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.491 ' CD ' ' H ' ' A' ' 83' ' ' LEU . 1.2 tm-20 -135.13 -179.41 5.61 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 -178.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.491 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 95.4 mt -77.56 -39.59 45.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 173.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.407 ' O ' ' HD3' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -81.6 153.75 26.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.279 173.064 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 67.01 93.74 0.07 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.642 0.734 . . . . 0.0 109.899 -170.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 31.1 t -138.32 167.05 22.68 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.261 -177.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -111.06 23.13 14.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.545 0.688 . . . . 0.0 110.6 -177.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -93.39 163.34 13.63 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 172.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 60.6 mt 65.73 81.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 121.547 0.689 . . . . 0.0 109.767 -171.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 98.9 mt -89.89 127.98 36.11 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.262 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -99.19 16.66 22.11 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.081 0.467 . . . . 0.0 110.431 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.2 mt -116.93 125.95 52.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.819 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -158.77 33.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.755 0.312 . . . . 0.0 110.797 -177.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.3 m -53.69 -74.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.636 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -167.83 153.91 7.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.715 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -144.55 107.0 4.38 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 174.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -91.22 -12.09 36.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.523 -172.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.17 165.2 18.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.881 0.372 . . . . 0.0 110.779 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -70.11 115.37 9.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.909 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -129.41 -156.94 0.79 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.441 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -71.66 118.3 14.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.419 178.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -85.56 102.45 13.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.799 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -145.89 151.52 37.98 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.694 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -72.28 127.44 32.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.932 0.396 . . . . 0.0 111.116 -177.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 98.2 mt -92.31 90.47 7.27 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.05 178.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -80.59 114.42 19.47 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.354 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.446 ' HD3' ' C ' ' A' ' 107' ' ' LYS . 13.1 tmtt? -100.12 131.0 46.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.724 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.445 ' N ' ' HD3' ' A' ' 107' ' ' LYS . 43.6 tttp . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.624 -0.703 . . . . 0.0 109.656 176.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.3 m -80.81 -30.2 35.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.638 -172.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -88.0 93.29 9.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.199 0.523 . . . . 0.0 111.438 -177.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -104.07 134.29 47.59 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 170.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.4 m -58.35 97.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.245 0.545 . . . . 0.0 111.689 -177.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -150.41 -32.99 0.18 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.216 178.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 63.93 176.08 0.17 Allowed 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.78 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.9 m -70.86 147.72 94.31 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.362 -177.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.47 -33.5 57.59 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 123.39 2.726 . . . . 0.0 112.426 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -52.08 -58.8 5.49 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.027 0.442 . . . . 0.0 110.822 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.5 t -70.51 -44.68 76.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.731 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -62.73 -43.53 98.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.007 -175.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.487 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 72.1 mm-40 -62.8 -50.51 70.73 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.377 177.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.5 ttm-85 -56.81 -46.61 81.52 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.683 0.277 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.532 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -58.55 -58.17 9.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.471 -178.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.497 HG11 ' CB ' ' A' ' 54' ' ' HIS . 55.5 t -63.17 -43.13 98.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.765 -174.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 13' ' ' GLN . 56.3 mtp180 -64.9 -31.71 73.07 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.737 -178.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 47.1 ttp -72.14 -38.5 69.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.973 175.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.532 HG22 ' O ' ' A' ' 15' ' ' ALA . 84.5 t -63.1 -45.08 99.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.271 175.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 97.3 mt -63.18 -36.33 83.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.072 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -56.41 -58.2 9.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.816 177.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.5 m -79.73 -8.97 59.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.343 -177.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -68.15 -37.44 81.03 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 173.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.1 -26.73 73.24 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.661 175.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -70.78 -49.53 45.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.996 0.427 . . . . 0.0 110.591 177.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -85.71 165.47 16.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.274 0.559 . . . . 0.0 111.896 -177.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -82.64 -55.34 4.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.641 176.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.8 m -97.53 133.18 42.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.808 -176.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -60.87 -43.9 97.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.773 -175.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 52.2 p-90 -59.3 -28.43 66.77 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.334 -176.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.04 -31.31 70.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.944 0.402 . . . . 0.0 110.811 -178.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.8 m -80.42 -44.35 19.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.319 0.58 . . . . 0.0 110.501 177.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.644 HG23 HD22 ' A' ' 47' ' ' LEU . 70.8 mt -60.86 -45.85 97.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.357 -0.838 . . . . 0.0 112.14 -175.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.7 p -69.99 -9.55 55.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 111.75 -177.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.8 t -98.38 -13.18 20.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.995 0.426 . . . . 0.0 110.819 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.7 mt -108.62 -35.95 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 122.243 -0.285 . . . . 0.0 111.541 -176.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.72 -53.21 56.77 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 112.667 0.618 . . . . 0.0 112.667 -177.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.26 -12.67 30.24 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 121.872 1.715 . . . . 0.0 112.66 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -82.99 -36.64 24.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.524 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 68.0 mt -83.76 -52.13 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.499 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.46 47.1 0.11 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.956 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.3 p -146.9 171.65 14.89 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.0 p -87.75 158.84 50.3 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.522 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 51.6 Cg_exo -54.01 -34.51 77.52 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.487 2.125 . . . . 0.0 111.322 175.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 49' ' ' VAL . 32.4 tt0 -65.74 -52.02 54.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.473 177.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.9 m -56.44 -42.13 77.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.527 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.644 HD22 HG23 ' A' ' 33' ' ' ILE . 26.9 tp -68.67 -37.1 79.34 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.708 -179.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.53 ' HG2' HD12 ' A' ' 33' ' ' ILE . 10.7 mtp180 -61.17 -40.59 94.48 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.758 0.313 . . . . 0.0 110.251 175.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 45' ' ' GLU . 84.5 t -60.45 -44.16 95.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.724 178.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 42.9 m0 -63.31 -43.14 98.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.57 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 47' ' ' LEU . 58.0 t -63.74 -46.21 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.859 0.362 . . . . 0.0 110.227 177.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -60.55 -39.06 86.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.331 178.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -68.27 -33.89 75.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.179 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.497 ' CB ' HG11 ' A' ' 16' ' ' VAL . 11.0 t-80 -63.91 -43.2 96.64 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.71 -36.18 82.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.377 0.608 . . . . 0.0 110.102 175.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -59.75 -36.27 76.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.927 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -96.05 -30.66 13.44 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -177.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.9 m -105.61 -10.46 16.81 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -171.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.49 106.33 1.65 Allowed Glycine 0 CA--C 1.518 0.247 0 C-N-CA 120.716 -0.755 . . . . 0.0 113.064 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 165.55 105.27 0.19 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.325 178.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -93.9 -56.23 2.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.835 0.35 . . . . 0.0 110.734 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.3 t70 73.17 -74.99 0.08 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.344 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 146.2 53.9 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 119.646 -1.264 . . . . 0.0 114.448 175.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.8 -70.48 1.73 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 114.818 0.687 . . . . 0.0 114.818 169.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.5 mp -66.11 96.21 0.32 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.077 0.465 . . . . 0.0 111.961 -172.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.7 t -171.32 162.31 6.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.392 177.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.2 m -83.6 82.65 8.21 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.224 0.535 . . . . 0.0 109.869 177.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -166.26 -172.9 2.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.587 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 61.41 26.91 16.61 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.233 0.539 . . . . 0.0 110.25 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.33 35.5 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.757 -174.397 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -83.45 73.03 10.22 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.18 0.514 . . . . 0.0 111.128 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -109.97 127.11 54.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.741 175.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.9 mp -79.5 -6.07 56.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.078 -177.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -93.74 41.05 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.456 0.646 . . . . 0.0 110.067 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -75.69 151.88 84.91 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.119 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.75 113.77 1.4 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.803 2.335 . . . . 0.0 111.728 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -160.19 -45.54 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.176 -175.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -97.03 -15.37 21.07 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.895 -177.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.473 ' HB3' ' HB3' ' A' ' 82' ' ' GLU . 7.1 mp0 -77.42 72.9 3.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.624 -178.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -90.6 -52.38 4.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.953 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 81' ' ' ARG . 42.6 mtp180 -87.55 -18.1 30.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.229 177.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.473 ' HB3' ' HB3' ' A' ' 79' ' ' GLU . 14.1 tp10 -76.32 101.16 5.38 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 175.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 30.1 tp -126.56 -27.09 3.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.672 -170.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 68.2 -79.55 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.407 0.683 . . . . 0.0 111.868 -178.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 50.5 mtm-85 65.93 -178.19 0.19 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.572 0.749 . . . . 0.0 110.653 -172.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.9 m -100.3 95.01 6.49 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.946 0.403 . . . . 0.0 110.619 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -157.88 172.72 17.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.089 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -79.69 104.11 10.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.67 0.748 . . . . 0.0 110.132 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.8 tt -89.83 101.61 12.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.328 -177.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.0 tt -125.04 96.38 4.84 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 173.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -65.68 -32.79 74.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.809 -170.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 49.4 tp -73.73 78.81 1.55 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.297 0.57 . . . . 0.0 110.327 177.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -111.4 8.47 21.26 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.987 177.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.2 m -61.17 -64.01 1.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.431 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -173.33 -70.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.024 177.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.479 ' CE2' ' HB1' ' A' ' 98' ' ' ALA . 47.2 p90 -158.24 157.73 33.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.018 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -84.05 97.8 9.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.725 0.774 . . . . 0.0 111.131 -177.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.479 ' HB1' ' CE2' ' A' ' 96' ' ' TYR . . . -103.1 163.7 12.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.324 178.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -79.82 92.15 5.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.927 0.394 . . . . 0.0 110.658 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 69.81 121.13 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.61 176.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -74.17 -47.78 33.52 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.209 173.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -125.93 91.64 3.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.895 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -71.99 -40.89 68.25 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 172.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.78 168.5 26.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.684 -1.144 . . . . 0.0 108.466 175.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 60.6 mt -80.66 38.01 0.43 Allowed 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.592 0.589 . . . . 0.0 112.592 -172.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 55.71 82.37 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 123.81 0.844 . . . . 0.0 112.693 172.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -128.78 -48.99 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 173.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 55.8 pttt . . . . . 0 C--O 1.245 0.816 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.426 172.371 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.4 mtt . . . . . 0 N--CA 1.481 1.082 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 55.5 m -61.6 114.61 3.36 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.312 0.577 . . . . 0.0 111.692 -176.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -116.07 -160.84 0.77 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.103 177.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -94.75 64.18 2.91 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 173.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.7 m -65.4 137.31 57.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.043 -176.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.6 ptp85 -69.72 131.15 44.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.172 0.511 . . . . 0.0 110.651 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -98.14 135.7 39.42 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.715 178.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.502 ' HB2' HG22 ' A' ' 11' ' ' VAL . 12.7 m -56.25 134.48 75.46 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.281 178.093 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.26 -34.88 81.48 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.204 2.603 . . . . 0.0 112.43 -177.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -65.07 -40.63 94.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.907 178.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.502 HG22 ' HB2' ' A' ' 8' ' ' SER . 58.2 t -65.99 -42.5 91.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.971 0.415 . . . . 0.0 110.051 178.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.539 ' O ' HG23 ' A' ' 16' ' ' VAL . 46.8 mtp180 -62.4 -39.68 94.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.038 176.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -67.53 -39.09 85.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.914 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -56.42 -43.26 79.2 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.436 175.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.474 ' O ' HG21 ' A' ' 19' ' ' VAL . . . -60.76 -53.74 53.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.565 176.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.565 ' HA ' HG23 ' A' ' 51' ' ' VAL . 60.8 t -55.68 -51.21 61.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.157 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.4 ttt180 -59.66 -53.37 58.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.257 -178.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.5 ' HE2' HG22 ' A' ' 36' ' ' ILE . 30.5 ttp -60.91 -32.39 71.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.162 -173.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.484 ' O ' ' HB2' ' A' ' 23' ' ' GLN . 74.1 t -65.47 -49.54 77.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 121.136 -0.226 . . . . 0.0 110.685 176.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.6 mt -68.65 -41.81 78.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.286 0.565 . . . . 0.0 110.737 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -59.01 -46.17 88.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.466 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.5 m -80.47 -12.16 59.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.59 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.484 ' HB2' ' O ' ' A' ' 19' ' ' VAL . 7.4 tt0 -78.67 -15.76 58.1 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 176.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.1 -24.91 73.39 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.311 -0.947 . . . . 0.0 110.922 167.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -93.31 -47.79 6.74 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.481 ' HB2' ' HG1' ' A' ' 32' ' ' THR . 91.1 m-85 -91.75 121.96 33.87 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.576 178.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -69.54 -31.6 69.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.016 -178.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.4 m -101.12 117.68 35.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.884 0.373 . . . . 0.0 110.494 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -61.55 -38.1 86.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.229 -175.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 41.8 p-90 -62.06 -30.45 70.99 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.688 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.47 -34.29 72.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.097 0.475 . . . . 0.0 110.168 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.481 ' HG1' ' HB2' ' A' ' 26' ' ' TYR . 2.8 m -69.21 -43.44 74.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.044 177.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.667 HG21 HD21 ' A' ' 47' ' ' LEU . 76.7 mt -60.7 -45.68 97.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.047 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 83.7 m -65.53 -25.4 67.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.862 -176.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.0 p -92.87 -25.89 17.88 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -177.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.5 HG22 ' HE2' ' A' ' 18' ' ' MET . 59.3 mt -89.66 -28.53 5.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.563 -178.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.431 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -52.74 -51.97 68.81 Favored Pre-proline 0 CA--C 1.541 0.616 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 51.3 Cg_endo -69.14 -8.04 22.52 Favored 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 122.067 1.844 . . . . 0.0 112.881 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 36' ' ' ILE . 72.1 mmtt -84.4 -36.78 22.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.263 0.554 . . . . 0.0 109.946 175.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 65.4 mt -79.34 -39.89 21.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.118 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.26 39.43 5.1 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -177.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 79.1 m -145.95 176.45 9.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.57 -0.315 . . . . 0.0 110.216 -178.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.652 ' HB ' ' HG2' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -74.66 135.99 74.58 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.574 -179.5 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.402 ' HB3' HG22 ' A' ' 33' ' ' ILE . 36.2 Cg_exo -57.19 -35.69 98.95 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.957 2.438 . . . . 0.0 112.056 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.652 ' HG2' ' HB ' ' A' ' 43' ' ' THR . 14.4 pt-20 -57.37 -42.88 82.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.037 177.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 m -67.68 -36.28 80.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.078 0.466 . . . . 0.0 110.502 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.667 HD21 HG21 ' A' ' 33' ' ' ILE . 52.3 tp -59.34 -44.24 92.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.457 177.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.0 ttt85 -65.64 -34.89 79.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.684 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.518 HG21 ' O ' ' A' ' 45' ' ' GLU . 87.2 t -62.58 -45.16 99.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.817 177.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.494 ' CE3' ' HA ' ' A' ' 47' ' ' LEU . 19.1 m0 -57.27 -47.9 80.25 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.734 0.302 . . . . 0.0 111.059 179.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.565 HG23 ' HA ' ' A' ' 16' ' ' VAL . 57.9 t -60.51 -47.68 91.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.528 179.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -61.45 -48.34 81.58 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.666 -177.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -65.09 -33.87 77.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.738 -178.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 37.7 t60 -68.88 -27.93 66.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.336 179.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.552 ' HG3' ' O ' ' A' ' 51' ' ' VAL . 50.0 mt-10 -65.49 -36.19 83.14 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 174.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.7 mtp85 -66.81 -34.02 76.89 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.846 175.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -58.81 -45.44 89.94 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.969 0.414 . . . . 0.0 110.201 173.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.4 m -66.33 -26.97 67.54 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.028 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.2 -51.84 25.74 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.208 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 83.96 -88.85 1.54 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.119 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -166.03 -167.62 1.1 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 -179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -102.68 15.51 29.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.835 0.35 . . . . 0.0 110.759 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -84.16 37.2 2.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.793 -177.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.9 76.2 1.06 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.844 -0.694 . . . . 0.0 111.619 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.1 mp -70.07 109.27 4.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.994 0.426 . . . . 0.0 110.463 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.2 t -96.26 3.18 53.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.317 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.1 m -63.89 134.83 55.89 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.871 176.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.437 ' HA ' ' OE1' ' A' ' 71' ' ' GLN . . . -69.84 66.17 0.24 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.283 0.563 . . . . 0.0 111.593 -178.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -107.15 -54.8 2.42 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 177.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.407 ' NE ' ' HA ' ' A' ' 70' ' ' ARG . 4.9 mmp_? -65.72 -21.53 66.53 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.758 177.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.437 ' OE1' ' HA ' ' A' ' 68' ' ' ALA . 2.4 mp0 -66.56 97.17 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.823 176.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -90.05 133.2 34.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.979 0.419 . . . . 0.0 111.241 -176.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.657 HD21 ' H ' ' A' ' 73' ' ' LEU . 2.5 pt? -83.2 156.31 23.26 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 175.103 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 95.2 mttt 65.0 31.87 10.9 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.147 0.498 . . . . 0.0 110.292 -177.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -79.18 118.58 73.25 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.573 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.03 1.57 8.07 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.898 2.399 . . . . 0.0 112.913 -177.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.46 91.14 7.76 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 78' ' ' ARG . 35.9 ttt180 -81.9 -54.7 5.12 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.262 -179.155 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -157.54 104.38 1.99 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.835 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.708 ' HB2' ' HA ' ' A' ' 84' ' ' ARG . 5.9 p30 -67.22 119.56 12.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.18 0.514 . . . . 0.0 110.328 178.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -94.33 -94.56 0.17 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.962 -174.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -93.04 -63.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.917 0.389 . . . . 0.0 111.222 -174.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.09 -6.0 42.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.2 -176.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.708 ' HA ' ' HB2' ' A' ' 80' ' ' ASN . 10.6 ttm180 73.42 -33.56 0.27 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.69 0.796 . . . . 0.0 111.159 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -101.87 86.16 2.85 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 165.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.1 m -112.09 -168.26 1.29 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.013 -171.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 49.46 -177.42 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.536 1.134 . . . . 0.0 112.991 -179.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -132.01 171.73 13.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.544 175.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 36.7 mm -79.64 80.08 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 175.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.1 mt -128.33 93.36 3.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.145 -177.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -138.05 27.36 2.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.779 174.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.2 mp -77.17 98.62 5.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.699 -178.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.87 -13.01 60.03 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.487 0.661 . . . . 0.0 110.15 175.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.8 m -155.43 168.69 26.26 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.115 -0.948 . . . . 0.0 108.477 176.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.17 78.44 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.062 0.458 . . . . 0.0 111.339 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -145.5 -168.24 2.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.01 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -97.49 163.91 12.66 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.193 178.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.22 -19.2 61.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.472 -178.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -77.11 89.89 3.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.389 0.614 . . . . 0.0 110.636 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -141.65 151.38 43.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.641 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -115.43 15.92 16.72 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.281 0.562 . . . . 0.0 109.653 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -109.09 22.35 16.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.428 -173.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -45.29 93.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.394 0.616 . . . . 0.0 110.247 177.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -128.73 160.03 33.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.287 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 44.0 tp -88.29 -26.31 22.35 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 176.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 35.8 t90 -87.26 87.38 7.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.596 176.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -96.92 -65.94 0.93 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.422 -0.808 . . . . 0.0 108.978 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 57.4 pttt . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.684 -0.674 . . . . 0.0 109.483 171.301 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.843 0.354 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.7 m -88.0 104.02 16.25 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.054 0.454 . . . . 0.0 111.701 -173.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -112.66 -65.54 1.17 Allowed 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 169.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -177.02 116.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.623 173.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.6 m -62.97 122.17 15.35 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.99 99.61 2.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.134 0.492 . . . . 0.0 111.906 -173.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -123.86 143.37 50.39 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 169.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.416 ' HB2' HG21 ' A' ' 11' ' ' VAL . 16.2 m -73.62 118.65 70.79 Favored Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.18 -43.29 43.57 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 123.229 2.619 . . . . 0.0 112.603 -177.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -61.14 -40.01 92.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.416 HG21 ' HB2' ' A' ' 8' ' ' SER . 58.2 t -69.05 -47.03 77.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.508 -178.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -64.56 -43.71 93.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -62.44 -44.14 97.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.265 178.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 14' ' ' ARG . 34.6 ttt180 -60.46 -41.63 94.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.665 179.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.534 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -59.93 -56.79 17.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.899 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.404 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 62.8 t -58.85 -43.18 87.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.606 -179.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.458 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 60.9 ttm-85 -59.02 -49.91 76.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.802 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.484 ' HE2' HG21 ' A' ' 36' ' ' ILE . 40.6 ttp -66.0 -31.53 72.48 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.085 -177.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 15' ' ' ALA . 78.3 t -61.91 -46.98 95.3 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.747 0.308 . . . . 0.0 110.291 175.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 76.5 mt -63.63 -43.22 97.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.254 178.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 17' ' ' ARG . 16.0 mm-40 -56.29 -42.75 78.01 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.168 177.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.457 ' O ' ' HD2' ' A' ' 26' ' ' TYR . 16.0 m -78.29 -31.44 48.95 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.961 -178.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -63.55 -20.45 65.64 Favored 'General case' 0 C--O 1.226 -0.137 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 177.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.05 -8.87 18.78 Favored Glycine 0 CA--C 1.525 0.684 0 CA-C-N 115.719 -0.673 . . . . 0.0 113.406 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -124.12 -30.77 3.43 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 117.18 0.49 . . . . 0.0 110.608 174.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.457 ' HD2' ' O ' ' A' ' 22' ' ' SER . 59.7 m-85 -73.1 156.39 38.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.952 0.406 . . . . 0.0 110.957 178.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -84.86 -26.05 27.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.198 0.523 . . . . 0.0 110.63 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.536 ' HB2' ' HE3' ' A' ' 30' ' ' TRP . 6.1 p -138.86 143.91 38.99 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.07 -176.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -59.87 -36.67 77.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.777 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.536 ' HE3' ' HB2' ' A' ' 28' ' ' SER . 27.2 m-90 -62.43 -39.9 94.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.127 -177.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.96 -38.33 90.66 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.039 0.447 . . . . 0.0 110.345 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.418 HG22 ' HB2' ' A' ' 22' ' ' SER . 24.0 m -64.1 -48.34 76.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.713 176.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.683 HG23 HD22 ' A' ' 47' ' ' LEU . 80.9 mt -57.1 -43.2 80.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.41 -178.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 63.2 m -66.22 -17.17 64.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.796 -178.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.2 m -98.55 -36.77 9.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.028 0.442 . . . . 0.0 111.071 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.484 HG21 ' HE2' ' A' ' 18' ' ' MET . 47.5 mm -80.44 -38.39 17.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.798 -175.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.555 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -55.22 -51.43 79.79 Favored Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -176.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.555 ' HD3' ' HB1' ' A' ' 37' ' ' ALA . 16.7 Cg_exo -68.36 -25.96 35.55 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 121.974 1.783 . . . . 0.0 112.116 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -68.38 -44.1 75.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.367 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.6 mt -81.06 -38.13 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.041 0.448 . . . . 0.0 110.724 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.74 53.08 0.93 Allowed Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -177.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.8 p -146.26 153.33 40.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.71 0.291 . . . . 0.0 110.878 -176.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.5 ' HB ' ' OG1' ' A' ' 46' ' ' THR . 43.8 m -64.71 130.41 94.75 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.373 176.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.51 -41.66 71.68 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.831 2.354 . . . . 0.0 112.573 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.532 ' O ' HG21 ' A' ' 49' ' ' VAL . 45.9 mt-10 -67.09 -32.79 74.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.5 ' OG1' ' HB ' ' A' ' 43' ' ' THR . 19.2 m -67.79 -37.35 81.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.144 0.497 . . . . 0.0 110.279 176.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.683 HD22 HG23 ' A' ' 33' ' ' ILE . 46.9 tp -62.17 -38.0 87.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.817 176.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -60.06 -44.4 94.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.137 174.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.532 HG21 ' O ' ' A' ' 45' ' ' GLU . 49.7 t -60.06 -41.63 87.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.64 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 53.0 m0 -62.12 -43.95 97.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.429 HG21 ' O ' ' A' ' 47' ' ' LEU . 56.1 t -67.37 -41.29 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.19 177.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.1 ttm-85 -59.66 -49.89 75.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.54 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.31 -47.27 86.03 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -56.57 -40.49 75.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.384 -178.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -84.94 -41.58 15.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.572 -175.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -63.82 -42.68 97.59 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.842 0.353 . . . . 0.0 111.894 -178.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -75.17 -21.0 59.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -175.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 58.1 m -85.44 104.55 15.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.951 0.405 . . . . 0.0 110.286 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.69 161.81 45.85 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.356 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -131.14 -14.97 1.73 Allowed Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.961 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -76.82 0.34 21.08 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.761 0.315 . . . . 0.0 111.034 -178.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -78.45 -8.04 58.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.831 0.348 . . . . 0.0 110.331 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.61 82.1 1.22 Allowed Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.013 177.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -74.9 118.37 5.65 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.1 mp 69.53 118.93 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.437 0.637 . . . . 0.0 111.512 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.77 -22.34 20.22 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.162 0.506 . . . . 0.0 110.052 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.6 t -72.09 -24.55 61.52 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.611 -176.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -101.57 80.37 2.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.153 0.502 . . . . 0.0 110.756 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -94.22 153.36 18.1 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.169 -177.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.3 ttp85 58.0 9.17 0.87 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 114.551 -1.204 . . . . 0.0 111.873 -177.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -81.28 -13.18 58.73 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 173.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -112.9 139.38 48.59 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.313 177.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.72 105.59 8.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.926 0.394 . . . . 0.0 110.765 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.431 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 53.0 tttm -102.03 73.94 1.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.21 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 17.7 mm-40 -167.99 129.55 1.2 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.222 177.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 75' ' ' GLU . 24.3 Cg_exo -64.41 -41.1 21.72 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.272 1.982 . . . . 0.0 111.242 173.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -98.79 106.24 18.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.408 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.407 ' HD3' ' HA ' ' A' ' 78' ' ' ARG . 3.1 mmt-85 -136.4 -65.79 0.56 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.107 177.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -139.31 123.75 18.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.273 -177.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -125.64 141.44 52.02 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 176.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -86.8 145.63 26.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.865 0.364 . . . . 0.0 110.231 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -67.33 149.08 50.82 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.686 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 93.5 mt -71.58 -40.79 69.69 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 175.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -92.31 83.1 4.98 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.709 172.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.498 ' C ' ' HD3' ' A' ' 85' ' ' ARG . 3.2 tmt_? -80.4 -67.46 0.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.871 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.9 m -103.64 -22.72 13.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.497 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -97.51 162.07 13.48 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.331 -177.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -117.74 -21.53 8.42 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 173.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 64.1 mt -94.58 107.24 19.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.006 176.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.8 mt -99.24 -47.38 5.21 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 -100.87 126.62 47.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.124 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.403 ' N ' HD11 ' A' ' 92' ' ' LEU . 7.1 mp -83.46 -32.51 25.99 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 177.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -150.89 158.02 43.62 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.22 177.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.6 m -114.17 34.85 4.44 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.254 0.549 . . . . 0.0 109.641 175.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.73 117.04 22.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.022 -177.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -85.49 112.63 21.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.706 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -63.78 -62.13 1.85 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.986 -174.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 57.23 67.8 0.94 Allowed 'General case' 0 C--O 1.232 0.182 0 O-C-N 123.618 0.574 . . . . 0.0 110.352 -175.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -179.0 -23.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.353 -173.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -103.63 -171.49 1.95 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.682 -171.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -75.31 -26.26 58.52 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.068 -178.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -81.54 -27.94 34.17 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -170.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 104' ' ' ARG . 1.0 OUTLIER -77.99 -76.26 0.19 Allowed 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.738 179.28 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.414 ' HB3' ' O ' ' A' ' 103' ' ' ASP . 19.1 ptp180 176.16 -16.27 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.141 0.276 . . . . 0.0 111.422 178.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 45.4 mt -80.6 -1.79 43.65 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -171.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 16.0 t-105 -84.5 90.7 7.69 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 172.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -110.87 -31.39 7.18 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.539 -174.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 49.6 tttm . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.44 -0.791 . . . . 0.0 110.539 -174.36 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 56.5 m 68.3 82.87 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.503 0.668 . . . . 0.0 111.093 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -138.17 -72.13 0.42 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 174.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -167.01 117.97 0.9 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.602 -1.181 . . . . 0.0 109.09 175.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.9 m -73.36 101.26 3.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.276 0.56 . . . . 0.0 111.478 -175.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 58.4 mtp85 -86.64 144.06 27.33 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.019 173.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -62.02 111.98 2.15 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 177.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.2 m -55.52 126.09 62.17 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.393 179.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -49.11 -57.42 2.37 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.253 2.635 . . . . 0.0 112.807 -175.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -61.27 -47.68 84.91 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.263 -177.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 87.3 t -57.41 -47.51 84.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.864 0.364 . . . . 0.0 111.189 -178.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 52.3 ttp180 -61.99 -49.83 74.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.268 0.556 . . . . 0.0 111.374 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -79.62 -27.7 41.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.825 -172.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -74.5 -30.85 61.97 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 175.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.573 ' O ' HG21 ' A' ' 19' ' ' VAL . . . -59.88 -50.64 72.99 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.724 174.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.437 HG13 HG23 ' A' ' 51' ' ' VAL . 54.6 t -61.13 -38.25 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.619 176.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.1 tpp85 -60.4 -42.95 97.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.357 177.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -73.98 -25.0 59.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.41 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.573 HG21 ' O ' ' A' ' 15' ' ' ALA . 79.7 t -60.29 -40.17 83.02 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 171.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.7 mt -68.67 -40.44 80.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.43 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -60.67 -37.1 80.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.928 177.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.9 m -82.39 -17.71 44.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.952 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -66.99 -32.74 74.18 Favored 'General case' 0 CA--C 1.522 -0.118 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 176.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.2 48.96 2.87 Favored Glycine 0 C--N 1.33 0.204 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.361 175.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -165.96 -57.32 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -73.22 149.41 42.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.237 177.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -82.35 -18.02 43.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.429 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.7 p -132.55 127.81 35.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.366 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.464 ' O ' HG12 ' A' ' 33' ' ' ILE . 29.1 tt0 -68.29 -26.78 65.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.608 -178.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 6.9 m-90 -63.28 -35.52 80.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.723 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.11 -39.99 82.64 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.178 0.513 . . . . 0.0 109.967 177.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.6 m -57.91 -46.14 85.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.627 175.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.464 HG12 ' O ' ' A' ' 29' ' ' GLN . 47.6 mm -56.71 -48.21 81.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.663 178.003 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 59.5 m -71.92 -7.32 47.84 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.947 -176.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.0 m -98.05 -33.24 11.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.014 0.435 . . . . 0.0 110.935 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.515 HD13 HG22 ' A' ' 19' ' ' VAL . 69.1 mt -87.92 -31.68 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.485 -176.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.28 -53.81 59.73 Favored Pre-proline 0 CA--C 1.539 0.552 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -68.39 -18.48 44.03 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.777 1.651 . . . . 0.0 112.324 178.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -71.52 -53.37 14.09 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.3 mt -72.57 -34.82 49.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.27 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.23 50.7 1.69 Allowed Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -178.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.0 p -141.56 172.06 13.2 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.894 0.378 . . . . 0.0 110.594 -178.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.5 m -79.02 128.83 75.04 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.717 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.86 -37.46 95.8 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.131 2.554 . . . . 0.0 112.275 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.588 ' O ' HG23 ' A' ' 49' ' ' VAL . 40.7 mt-10 -57.06 -46.49 82.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.601 177.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.0 m -63.73 -38.1 89.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.962 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.428 ' O ' HG22 ' A' ' 51' ' ' VAL . 44.1 tp -63.76 -40.33 96.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.783 177.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 48' ' ' ARG . 15.5 tpt180 -66.49 -35.49 80.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.342 175.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 45' ' ' GLU . 70.3 t -59.48 -45.35 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.829 177.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 50.0 m0 -61.72 -39.12 90.39 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 120.966 0.412 . . . . 0.0 110.766 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.437 HG23 HG13 ' A' ' 16' ' ' VAL . 57.5 t -67.64 -50.05 64.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.472 177.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.417 ' HA ' ' HB2' ' A' ' 55' ' ' GLU . 40.0 ttm180 -65.4 -32.09 73.54 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.759 0.314 . . . . 0.0 110.95 -178.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -61.1 -41.75 97.24 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.523 ' HA ' ' HB3' ' A' ' 57' ' ' ASP . 40.3 m80 -76.94 -26.02 53.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.049 0.452 . . . . 0.0 110.722 176.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.417 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 19.1 tt0 -61.54 -31.98 72.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.674 176.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.0 ttm-85 -92.44 -32.0 15.07 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.901 173.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.523 ' HB3' ' HA ' ' A' ' 54' ' ' HIS . 31.2 t70 -62.91 -28.51 70.1 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.035 -0.529 . . . . 0.0 112.027 -173.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.4 t -60.96 100.47 0.11 Allowed 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.867 0.842 . . . . 0.0 110.077 175.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 115.14 -110.01 2.21 Favored Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 -172.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 57.13 -103.54 0.3 Allowed Glycine 0 C--N 1.331 0.293 0 C-N-CA 121.496 -0.383 . . . . 0.0 113.676 173.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -126.19 138.72 53.67 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -85.73 86.88 7.35 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.192 0.52 . . . . 0.0 112.252 -171.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.27 10.07 51.34 Favored Glycine 0 CA--C 1.52 0.374 0 CA-C-N 115.411 -0.813 . . . . 0.0 114.407 170.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.53 6.13 83.82 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.357 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.9 tp -120.54 101.24 7.63 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.197 0.522 . . . . 0.0 110.23 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.5 m -120.11 34.28 5.28 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.45 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.7 m 63.75 82.03 0.19 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.214 -176.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -172.08 -61.82 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.595 -175.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -149.31 124.9 10.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.053 0.454 . . . . 0.0 111.453 -178.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -79.39 109.88 14.16 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 170.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -58.53 111.22 1.17 Allowed 'General case' 0 C--N 1.327 -0.381 0 O-C-N 123.519 0.512 . . . . 0.0 111.799 -170.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 37.0 ttm-85 -134.42 99.3 4.33 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.774 177.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.472 HD21 ' HB3' ' A' ' 76' ' ' PRO . 4.8 tt -149.52 97.87 2.69 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.537 174.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -115.73 117.4 30.14 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 176.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 60.63 84.81 0.19 Allowed Pre-proline 0 CA--C 1.533 0.294 0 O-C-N 123.931 0.769 . . . . 0.0 110.462 -175.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.472 ' HB3' HD21 ' A' ' 73' ' ' LEU . 61.3 Cg_endo -72.27 -171.83 0.78 Allowed 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 123.13 2.553 . . . . 0.0 113.252 -176.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.442 ' CD ' ' H ' ' A' ' 77' ' ' GLU . 0.9 OUTLIER -83.64 73.23 10.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.716 0.77 . . . . 0.0 111.21 -177.253 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.6 tpp85 -91.36 79.75 5.58 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 174.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -99.8 -84.45 0.42 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.238 -166.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -96.65 106.81 19.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.982 0.42 . . . . 0.0 111.662 -172.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -103.6 -11.17 17.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.286 175.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -88.1 76.12 8.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.736 -175.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 95.7 mt -82.09 78.71 8.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.871 177.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.2 ptp85 -162.07 77.05 0.5 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.367 -175.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -85.72 65.98 9.41 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.681 0.753 . . . . 0.0 109.615 -178.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.8 t -153.81 112.18 3.61 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.547 -177.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -86.17 76.24 9.77 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.973 0.416 . . . . 0.0 110.103 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.15 120.83 15.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.889 177.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 35.8 pt -104.5 168.23 2.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.58 -175.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.6 mp -126.07 -179.28 4.63 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.38 -0.827 . . . . 0.0 108.874 174.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -76.89 141.86 40.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.755 0.312 . . . . 0.0 110.717 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.436 HD11 ' O ' ' A' ' 92' ' ' LEU . 3.7 pp -75.4 134.69 40.86 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 175.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 66.9 161.66 0.16 Allowed 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.863 0.727 . . . . 0.0 110.884 -172.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 55.9 m 64.44 87.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.58 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.61 148.28 49.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.905 175.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -80.58 -82.28 0.12 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 67.1 t80 177.92 138.67 0.08 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.32 99.15 3.4 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 174.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -82.98 -15.32 51.68 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.471 -172.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.49 -26.32 68.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.648 177.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.412 ' OE2' ' HA ' ' A' ' 104' ' ' ARG . 9.1 pt-20 -111.76 123.78 50.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.405 179.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -65.1 -30.48 71.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.244 0.545 . . . . 0.0 110.343 177.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -147.05 150.71 35.62 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 177.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.412 ' HA ' ' OE2' ' A' ' 101' ' ' GLU . 45.3 ttt180 -65.25 117.51 7.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.76 0.314 . . . . 0.0 111.273 -173.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.469 ' H ' HD23 ' A' ' 105' ' ' LEU . 2.7 pt? -74.51 142.45 44.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.992 177.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 18.6 m-90 -85.26 106.7 16.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.971 0.415 . . . . 0.0 109.955 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -68.68 -33.18 73.53 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.853 -178.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.541 -0.742 . . . . 0.0 110.417 179.015 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 120.347 0.118 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.4 m 72.94 -48.22 0.68 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 122.836 0.454 . . . . 0.0 111.672 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -75.87 81.34 2.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.01 0.433 . . . . 0.0 110.759 177.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -92.34 -34.3 14.25 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.434 0.635 . . . . 0.0 109.4 176.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.2 t -100.85 162.32 12.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.668 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -152.51 122.2 6.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.618 0.247 . . . . 0.0 110.382 -178.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -85.28 84.33 7.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.387 0.613 . . . . 0.0 110.261 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.5 t -75.99 147.85 80.91 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.634 178.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.58 -21.04 29.4 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.9 2.4 . . . . 0.0 111.729 174.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.556 ' O ' ' HG3' ' A' ' 14' ' ' ARG . 33.1 mt-10 -61.94 -34.15 75.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.535 176.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 63.6 t -65.86 -41.13 89.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.003 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.417 ' O ' HG22 ' A' ' 16' ' ' VAL . 44.8 ttp180 -62.61 -40.77 98.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.04 176.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.412 ' HA ' ' OE1' ' A' ' 13' ' ' GLN . 6.0 tp60 -66.17 -41.89 89.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.534 -179.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.606 ' HB3' ' HE2' ' A' ' 18' ' ' MET . 95.3 mtt180 -57.32 -47.24 82.06 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-O 121.1 0.476 . . . . 0.0 109.8 175.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.481 ' O ' HG21 ' A' ' 19' ' ' VAL . . . -55.58 -50.46 70.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.657 -177.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.531 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 69.2 t -56.95 -44.27 82.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.712 -179.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.4 ttp85 -65.04 -43.75 91.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.579 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.606 ' HE2' ' HB3' ' A' ' 14' ' ' ARG . 66.8 mtt -61.42 -42.24 98.43 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.569 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.481 HG21 ' O ' ' A' ' 15' ' ' ALA . 81.8 t -60.07 -46.37 94.4 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.269 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.524 177.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 84.5 mt -62.44 -48.58 79.06 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.754 0.311 . . . . 0.0 111.173 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -62.07 -44.37 96.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.881 -178.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.513 ' HB2' HG21 ' A' ' 32' ' ' THR . 18.2 m -73.62 -25.01 60.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -64.83 -30.17 71.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.108 0.48 . . . . 0.0 109.988 176.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.06 -8.39 86.88 Favored Glycine 0 CA--C 1.522 0.499 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.224 175.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -99.59 -55.07 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.941 0.4 . . . . 0.0 110.546 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -73.68 163.09 28.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.649 -176.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -87.43 -8.08 56.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.857 176.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.4 t -138.52 132.62 31.48 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.0 -176.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -70.58 -27.85 64.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.586 0.708 . . . . 0.0 109.11 174.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.427 ' CD1' ' N ' ' A' ' 30' ' ' TRP . 5.5 m0 -65.0 -51.17 63.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.29 178.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.0 -29.08 70.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.713 177.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.56 ' O ' HG12 ' A' ' 36' ' ' ILE . 92.5 m -62.34 -54.99 32.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.354 176.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.481 HG23 ' HB2' ' A' ' 47' ' ' LEU . 58.6 mt -56.82 -40.73 73.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 120.99 0.424 . . . . 0.0 110.845 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.5 t -61.06 -28.11 68.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.96 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.408 ' O ' ' HD2' ' A' ' 38' ' ' PRO . 21.0 m -95.39 -17.35 21.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.617 -176.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.56 HG12 ' O ' ' A' ' 32' ' ' THR . 49.5 mm -83.5 -24.11 8.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.24 0.543 . . . . 0.0 110.564 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.588 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -54.48 -53.18 62.59 Favored Pre-proline 0 CA--C 1.54 0.588 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.738 177.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.588 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 2.3 Cg_endo -82.22 8.04 4.74 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.374 2.049 . . . . 0.0 112.222 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 36' ' ' ILE . 27.5 tptp -90.23 -29.2 18.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.211 178.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.1 mt -110.79 -41.38 4.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.418 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.16 35.36 1.03 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.741 -0.743 . . . . 0.0 111.447 -175.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 66.0 m -129.56 174.48 9.62 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.3 p -91.84 157.52 41.34 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.477 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 14.5 Cg_endo -58.07 -24.54 66.48 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.614 2.209 . . . . 0.0 111.954 178.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -64.45 -44.68 90.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.275 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.5 m -61.6 -42.95 99.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.229 -176.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.481 ' HB2' HG23 ' A' ' 33' ' ' ILE . 3.7 mm? -61.11 -42.31 98.3 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.193 -179.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 44' ' ' PRO . 54.6 mtt180 -57.42 -46.83 83.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.77 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.582 HG12 HE21 ' A' ' 53' ' ' GLN . 30.9 t -65.55 -42.25 92.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.625 -179.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 35.6 m0 -61.3 -41.93 97.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.694 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.456 HG21 ' O ' ' A' ' 47' ' ' LEU . 94.9 t -62.69 -45.11 99.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.744 0.307 . . . . 0.0 110.542 178.186 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -66.08 -32.09 73.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.809 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.582 HE21 HG12 ' A' ' 49' ' ' VAL . 76.4 mt-30 -66.56 -35.11 79.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.614 176.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.494 ' O ' ' HB3' ' A' ' 57' ' ' ASP . 46.5 t-80 -73.06 -26.27 61.22 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 176.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -64.38 -46.92 81.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.811 175.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.407 ' HE ' ' HB3' ' A' ' 56' ' ' ARG . 12.0 mtp180 -69.02 -24.31 64.18 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.586 178.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.494 ' HB3' ' O ' ' A' ' 54' ' ' HIS . 8.4 t70 -51.68 -45.87 63.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.932 0.396 . . . . 0.0 111.422 178.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.0 m -100.51 -34.23 10.01 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.32 -86.64 0.48 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.926 -178.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -82.92 70.01 3.27 Favored Glycine 0 C--O 1.236 0.233 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.642 -177.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -69.28 -36.54 77.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.85 0.357 . . . . 0.0 110.084 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 65.28 67.83 0.51 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.776 177.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -98.62 141.65 15.67 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.55 174.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.94 29.54 8.01 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.615 -177.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -74.61 -51.88 13.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.172 0.51 . . . . 0.0 109.724 177.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.5 m -92.07 94.43 9.23 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 172.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.3 t -104.57 12.24 33.33 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.721 0.772 . . . . 0.0 109.8 -176.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.38 130.71 46.47 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.473 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.451 ' CD ' ' HG2' ' A' ' 72' ' ' ARG . 11.7 tp10 -89.73 123.25 33.57 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.571 -178.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 62.7 ttp85 -151.94 9.7 0.52 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.406 0.622 . . . . 0.0 110.149 177.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -87.13 -51.69 5.85 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.451 ' HG2' ' CD ' ' A' ' 69' ' ' GLU . 11.6 ptt180 -89.88 -28.27 19.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.702 174.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.2 tt -90.64 84.6 5.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.327 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -140.87 151.3 44.2 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.711 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.438 ' HA ' ' HD2' ' A' ' 76' ' ' PRO . 9.4 pt-20 -130.09 109.84 16.76 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 121.165 0.507 . . . . 0.0 111.636 -176.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 75' ' ' GLU . 33.8 Cg_endo -67.51 -44.01 5.07 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.503 2.135 . . . . 0.0 110.6 171.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -84.3 104.15 14.09 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.01 -0.995 . . . . 0.0 108.669 172.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -139.88 167.42 22.15 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.886 -166.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -104.76 -6.73 20.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.551 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 20.4 m120 70.29 -163.54 0.16 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.161 176.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -95.0 113.37 25.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.252 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -92.13 96.18 10.18 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.148 0.499 . . . . 0.0 109.869 174.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.575 ' HG ' ' H ' ' A' ' 84' ' ' ARG . 13.1 tp -94.43 -151.83 0.33 Allowed 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 175.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.575 ' H ' ' HG ' ' A' ' 83' ' ' LEU . 29.2 mtm180 -79.97 4.33 17.25 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.094 0.473 . . . . 0.0 110.079 175.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.458 ' HB2' ' H ' ' A' ' 86' ' ' SER . 90.8 mtt180 -85.33 -88.42 0.11 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.402 176.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.458 ' H ' ' HB2' ' A' ' 85' ' ' ARG . 20.8 t 59.79 -178.01 0.09 Allowed 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.673 0.749 . . . . 0.0 112.206 175.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -153.51 6.5 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.94 -1.027 . . . . 0.0 108.317 175.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -106.56 10.06 31.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.601 -170.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 55.7 mt -79.72 98.25 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.126 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -112.11 -174.12 2.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.505 175.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -86.82 143.28 27.55 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 177.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 62.3 mt 70.33 162.65 0.24 Allowed 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.858 0.724 . . . . 0.0 111.792 177.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -111.31 -168.63 1.33 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.511 173.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.9 m 66.35 95.99 0.06 Allowed 'General case' 0 C--O 1.233 0.205 0 O-C-N 123.608 0.567 . . . . 0.0 110.694 -177.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.77 153.89 42.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.801 -178.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -78.86 3.96 15.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.479 -178.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -87.36 88.15 7.61 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.956 0.407 . . . . 0.0 110.198 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.82 23.55 1.69 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.313 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 63.6 mttp 67.12 62.88 0.46 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.51 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -83.44 143.17 30.44 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 168.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.517 ' HG2' ' H ' ' A' ' 102' ' ' PHE . 1.3 pm0 -66.98 -53.76 28.4 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.44 -173.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.517 ' H ' ' HG2' ' A' ' 101' ' ' GLU . 70.7 m-85 62.73 -68.64 0.07 Allowed 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.732 0.645 . . . . 0.0 110.958 -172.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 68.3 -73.66 0.08 Allowed 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 123.59 0.756 . . . . 0.0 111.295 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.1 mtp-105 -144.19 -179.21 6.37 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -175.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.1 mp -86.18 78.4 9.37 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 170.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 17.0 p-90 -137.54 146.12 43.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.54 -173.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.36 153.89 5.51 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 172.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 94.5 mttt . . . . . 0 C--O 1.245 0.842 0 CA-C-O 118.399 -0.81 . . . . 0.0 110.621 -179.01 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.9 mtt . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.445 0.164 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.9 p 48.78 -128.45 1.98 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.549 0.74 . . . . 0.0 112.037 -177.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 89.0 tttt 55.84 76.22 0.29 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.563 0.697 . . . . 0.0 110.981 -174.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -83.44 97.25 8.87 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 173.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.7 p 57.24 -88.95 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.271 0 O-C-N 124.288 0.992 . . . . 0.0 109.858 -166.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.07 -19.77 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.382 0.673 . . . . 0.0 109.23 174.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -83.55 121.51 27.32 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.3 t -82.3 147.28 56.41 Favored Pre-proline 0 C--N 1.319 -0.719 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 172.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.72 -24.14 36.31 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.727 2.285 . . . . 0.0 111.554 175.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -57.63 -52.44 65.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.928 174.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.7 t -62.59 -40.33 87.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.843 -176.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.6 tpp85 -59.03 -50.96 72.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.58 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -67.75 -42.58 81.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.484 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -58.02 -41.99 84.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.113 -178.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.466 ' O ' HG21 ' A' ' 19' ' ' VAL . . . -63.86 -51.86 62.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.137 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.474 HG21 ' HB2' ' A' ' 54' ' ' HIS . 40.1 t -64.84 -42.64 95.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.747 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -56.51 -45.68 80.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.218 175.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 41.8 tpp -58.63 -42.27 87.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.562 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.466 HG21 ' O ' ' A' ' 15' ' ' ALA . 90.1 t -66.75 -55.09 19.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.74 -40.92 97.92 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -173.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.42 -39.73 74.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.575 -178.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.7 m -72.2 -28.78 63.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.045 0.45 . . . . 0.0 109.902 176.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.418 HE21 ' HB3' ' A' ' 23' ' ' GLN . 0.9 OUTLIER -63.44 -29.83 71.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.609 174.013 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.74 -28.48 70.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.075 175.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -74.17 -35.05 63.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.316 0.579 . . . . 0.0 109.665 176.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -99.16 -157.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.844 175.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -134.34 8.13 3.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.528 0.68 . . . . 0.0 109.421 172.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.403 ' OG ' ' HE3' ' A' ' 30' ' ' TRP . 39.4 t -131.36 121.75 25.19 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.067 -174.296 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.41 ' O ' HG13 ' A' ' 33' ' ' ILE . 66.0 mt-30 -65.26 -46.7 79.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.957 0.408 . . . . 0.0 110.092 172.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.403 ' HE3' ' OG ' ' A' ' 28' ' ' SER . 9.9 m-90 -55.23 -51.98 64.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.812 -173.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.38 94.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.169 0.509 . . . . 0.0 110.89 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.456 ' O ' HG13 ' A' ' 36' ' ' ILE . 26.9 m -67.43 -47.35 70.45 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.29 -178.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.612 HG22 ' HB2' ' A' ' 47' ' ' LEU . 78.2 mt -55.54 -41.57 64.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.5 -178.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.6 m -62.35 -28.48 69.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.865 0.364 . . . . 0.0 111.618 -178.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 t -89.96 -20.07 23.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.912 0.386 . . . . 0.0 110.945 -176.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 32' ' ' THR . 60.2 mt -86.6 -15.52 9.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.903 0.382 . . . . 0.0 111.247 -176.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.535 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -54.17 -56.91 21.15 Favored Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.54 177.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.535 ' HD3' ' HB1' ' A' ' 37' ' ' ALA . 73.1 Cg_endo -76.41 -10.09 18.91 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 121.85 1.7 . . . . 0.0 111.886 177.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.4 tttt -79.93 -42.29 24.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.003 -177.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.1 mm -83.6 -45.45 18.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.145 175.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.75 47.36 0.4 Allowed Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.058 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 19.3 p -153.75 -167.87 2.8 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.6 p -94.84 154.67 39.78 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.765 -0.198 . . . . 0.0 110.66 177.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.415 ' HA ' ' HB2' ' A' ' 37' ' ' ALA . 76.6 Cg_exo -51.94 -49.99 15.47 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.505 2.804 . . . . 0.0 114.343 -172.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.477 ' O ' HG22 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -61.78 -21.65 64.76 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -175.654 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.7 m -66.13 -36.96 84.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 110.699 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.612 ' HB2' HG22 ' A' ' 33' ' ' ILE . 3.3 mm? -64.81 -44.31 90.31 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.206 178.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 57.7 ttp85 -63.09 -35.94 81.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.379 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 45' ' ' GLU . 92.7 t -63.31 -50.28 79.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.262 175.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 43.3 m0 -61.66 -39.73 92.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.378 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.5 HG21 ' O ' ' A' ' 47' ' ' LEU . 77.7 t -60.13 -44.1 94.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 120.64 0.257 . . . . 0.0 110.484 176.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -64.54 -42.74 95.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.108 177.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' ' 49' ' ' VAL . 94.1 mt-30 -58.73 -46.41 87.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.547 178.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.546 ' HA ' ' HB3' ' A' ' 57' ' ' ASP . 68.7 t60 -72.25 -20.84 61.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.163 -178.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -73.03 -28.46 62.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.18 0.514 . . . . 0.0 109.683 178.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.6 mtp85 -87.21 -25.75 23.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.443 172.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.546 ' HB3' ' HA ' ' A' ' 54' ' ' HIS . 1.8 t70 -58.61 -57.3 13.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.288 174.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.0 m -90.67 11.11 23.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.717 0.77 . . . . 0.0 110.31 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -137.39 -125.54 2.41 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.392 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 112.13 -30.67 7.5 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.389 -0.91 . . . . 0.0 112.729 176.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -67.41 -35.69 79.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.312 0.577 . . . . 0.0 110.062 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -118.44 153.52 33.96 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.471 174.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -116.55 14.99 14.89 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.458 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.94 25.26 4.26 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.098 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.9 mt -113.04 -2.9 14.1 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.027 -0.361 . . . . 0.0 110.027 178.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.8 p 51.65 -119.44 1.45 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.088 -176.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.3 p -142.02 157.14 45.27 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.627 0.251 . . . . 0.0 110.571 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.4 ' C ' ' H ' ' A' ' 70' ' ' ARG . . . -82.82 157.16 23.28 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 173.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -74.23 8.18 2.32 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.968 0.413 . . . . 0.0 111.342 -177.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.4 ' H ' ' C ' ' A' ' 68' ' ' ALA . 62.7 mtp85 -108.34 89.75 3.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.74 -178.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -161.82 150.3 15.31 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -176.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 72' ' ' ARG . 14.3 ttp180 -80.97 132.16 35.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.855 0.359 . . . . 0.0 110.126 175.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.622 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.5 pt? -78.77 151.02 32.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.178 178.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -100.06 -67.65 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.131 -177.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -129.65 129.16 23.11 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 120.788 0.328 . . . . 0.0 110.455 177.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -87.55 123.61 1.85 Allowed 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 122.673 2.249 . . . . 0.0 112.336 177.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -87.83 34.82 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.081 0.467 . . . . 0.0 110.35 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 78' ' ' ARG . 34.9 ttp-105 -58.47 -54.98 40.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.229 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -102.53 142.04 34.37 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.862 -175.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.28 128.95 38.32 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 175.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 33.6 mtp180 -100.34 105.66 17.2 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.99 0.424 . . . . 0.0 111.331 -169.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -139.66 125.87 20.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.733 175.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 25.5 tp -128.57 0.71 5.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.93 -178.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.497 ' HA ' ' HD3' ' A' ' 84' ' ' ARG . 8.5 mmt180 -96.23 9.85 39.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.234 0.54 . . . . 0.0 111.265 -176.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -142.33 176.01 9.32 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.234 176.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.9 m -76.26 134.98 39.65 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 174.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -63.86 100.18 0.29 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.934 0.397 . . . . 0.0 110.39 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -84.57 -177.35 6.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.025 -176.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 21.5 pt -136.43 26.29 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.153 175.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.8 mp -106.69 116.85 32.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.717 -173.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.3 mmt85 -115.93 102.26 9.51 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 177.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.3 tt -101.8 -64.0 1.1 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 60.74 92.7 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 O-C-N 123.762 0.664 . . . . 0.0 111.537 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.5 m 67.85 96.76 0.06 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.34 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.1 138.95 30.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.196 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -109.89 -170.23 1.61 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.722 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -88.58 169.85 11.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.203 -177.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -93.24 106.43 18.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.729 174.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -76.2 -38.23 56.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.948 -174.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -147.99 156.98 43.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.998 0.427 . . . . 0.0 111.81 -177.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -154.77 150.23 27.33 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 176.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -65.24 -68.09 0.39 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 111.053 -175.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -88.71 157.64 18.46 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.1 ttp-105 -116.05 92.26 3.84 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.868 0.366 . . . . 0.0 110.669 -175.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 98.1 mt -96.07 4.77 52.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.426 0.631 . . . . 0.0 109.467 175.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -92.39 77.09 5.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.982 -178.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -93.25 86.8 5.43 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 172.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt . . . . . 0 C--O 1.249 1.035 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.74 -169.604 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.9 mtt . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.753 0.311 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.2 t -124.21 -3.25 8.02 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.887 0.375 . . . . 0.0 111.006 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -108.67 149.65 28.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.384 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 66.1 t30 77.06 -0.6 2.92 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 124.062 0.851 . . . . 0.0 110.159 -176.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -76.98 -30.1 55.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.662 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 59.77 -109.73 0.44 Allowed 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 114.877 -1.056 . . . . 0.0 112.213 173.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -138.6 161.97 35.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.16 -175.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.2 t -74.07 135.21 76.97 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.141 177.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.507 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 12.0 Cg_endo -55.98 -39.08 93.4 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 123.165 2.577 . . . . 0.0 112.142 -179.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -61.6 -46.61 89.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.129 0.49 . . . . 0.0 110.689 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.9 t -65.61 -37.34 79.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.228 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -58.24 -51.86 68.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.567 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.507 ' HG2' ' O ' ' A' ' 9' ' ' PRO . 12.2 mm100 -60.59 -42.06 95.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.526 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.471 ' O ' ' HG2' ' A' ' 18' ' ' MET . 99.3 mtt180 -60.62 -42.13 96.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.216 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.426 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -61.95 -49.86 74.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.305 -179.084 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -64.66 -36.61 77.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.212 0.529 . . . . 0.0 110.344 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -62.44 -38.73 90.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.026 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.471 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 92.4 mmm -63.13 -42.61 99.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.229 175.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 15' ' ' ALA . 93.3 t -58.84 -48.22 86.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.604 177.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.58 -45.59 89.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.034 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -57.74 -47.67 81.8 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.28 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.4 t -65.56 -41.13 93.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.271 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -65.9 -13.22 59.27 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.818 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.91 -28.35 71.77 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.883 173.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -111.76 -38.43 4.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.013 0.435 . . . . 0.0 109.962 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -80.66 107.79 13.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.554 177.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -76.33 -24.67 54.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.494 -172.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.5 m -97.21 108.38 21.09 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.36 -178.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.407 ' O ' HG13 ' A' ' 33' ' ' ILE . 6.7 tt0 -56.19 -38.08 70.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.454 -177.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -61.19 -37.78 84.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.783 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.2 -39.27 82.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.108 177.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.4 m -63.1 -49.75 73.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.877 177.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.556 HG21 HD22 ' A' ' 47' ' ' LEU . 82.6 mt -56.69 -48.41 80.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.311 -179.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.0 m -65.53 -14.44 61.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.817 -178.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.2 m -97.92 -41.6 7.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.873 0.368 . . . . 0.0 110.912 178.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.8 mm -79.56 -40.54 21.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.988 -174.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.566 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . . . -53.65 -52.23 69.06 Favored Pre-proline 0 CA--C 1.536 0.431 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -176.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.566 ' HD3' ' HB2' ' A' ' 37' ' ' ALA . 9.9 Cg_exo -71.86 -24.44 21.14 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 121.991 1.794 . . . . 0.0 112.049 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -72.5 -43.42 63.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.155 -179.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 47.8 mm -74.7 -44.72 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.398 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.34 51.83 0.38 Allowed Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.758 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.7 p -152.67 171.3 18.4 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -178.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.3 p -91.44 151.06 42.31 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.764 -0.198 . . . . 0.0 110.96 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.07 -37.69 86.86 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.026 2.484 . . . . 0.0 112.144 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.537 ' O ' HG21 ' A' ' 49' ' ' VAL . 11.0 tp10 -52.84 -59.32 4.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.488 175.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.3 m -61.64 -42.3 98.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.495 -175.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.556 HD22 HG21 ' A' ' 33' ' ' ILE . 49.3 tp -63.7 -43.86 95.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.801 -179.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.9 ttt85 -66.82 -31.78 72.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.086 -178.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.537 HG21 ' O ' ' A' ' 45' ' ' GLU . 88.1 t -61.66 -44.36 98.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 174.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 38.1 m0 -64.79 -34.68 78.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.052 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.496 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 85.1 t -60.15 -54.78 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 176.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.487 HH21 ' CD ' ' A' ' 55' ' ' GLU . 1.7 mmp_? -58.58 -38.89 78.87 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.603 178.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -62.84 -46.03 89.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.903 178.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -62.79 -37.29 86.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.942 0.401 . . . . 0.0 110.27 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 51' ' ' VAL . 47.6 mt-10 -67.02 -43.69 82.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.538 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -70.7 -27.54 64.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.231 0.539 . . . . 0.0 110.311 177.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -67.53 -51.24 53.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.208 177.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.2 m -82.23 -45.46 15.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.705 -175.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.85 134.96 12.51 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.036 -177.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -139.53 -160.63 8.42 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.619 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -114.37 124.48 52.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.86 0.362 . . . . 0.0 110.693 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -137.58 118.83 14.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.929 176.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.59 37.22 27.57 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.838 -176.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.26 109.27 2.79 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.698 178.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.494 ' HG ' ' H ' ' A' ' 67' ' ' THR . 39.3 tp -103.92 152.6 21.77 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 -178.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 m -67.8 -25.5 65.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.308 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.494 ' H ' ' HG ' ' A' ' 65' ' ' LEU . 19.3 p 47.15 71.8 0.29 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.516 0.674 . . . . 0.0 111.395 -175.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.48 -22.52 43.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.203 -176.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.666 ' HG2' ' H ' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -89.18 -60.31 1.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 177.902 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.666 ' H ' ' HG2' ' A' ' 69' ' ' GLU . 0.1 OUTLIER 169.57 -61.54 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 123.949 0.9 . . . . 0.0 109.327 175.555 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.492 ' H ' ' HG3' ' A' ' 70' ' ' ARG . 21.4 mp0 -143.96 -179.38 6.45 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 175.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 69.2 mtt85 -78.83 115.11 18.31 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.248 0.547 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 pp -146.23 -178.19 6.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.416 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt 60.52 32.03 20.39 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 122.726 0.41 . . . . 0.0 111.744 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -125.24 79.27 66.37 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-O 121.033 0.444 . . . . 0.0 109.86 177.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.763 ' HG2' ' HB3' ' A' ' 79' ' ' GLU . 2.9 Cg_endo -87.41 -168.44 0.4 Allowed 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 123.585 2.857 . . . . 0.0 111.847 -179.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -94.1 -62.23 1.38 Allowed 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -117.3 83.26 1.95 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.297 0.57 . . . . 0.0 110.696 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.763 ' HB3' ' HG2' ' A' ' 76' ' ' PRO . 26.7 tt0 -151.86 153.2 33.72 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 176.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.467 ' N ' HD21 ' A' ' 80' ' ' ASN . 0.9 OUTLIER -77.46 87.49 3.82 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.575 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.4 ttt85 -80.67 98.49 7.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.164 0.507 . . . . 0.0 110.271 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -102.01 109.31 21.0 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.589 176.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 31.4 tp -84.01 156.99 22.0 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.34 -178.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -54.05 -51.95 62.44 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 123.224 0.328 . . . . 0.0 111.028 178.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.2 mtm105 65.11 89.49 0.09 Allowed 'General case' 0 C--N 1.332 -0.156 0 O-C-N 123.79 0.681 . . . . 0.0 110.477 -177.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.9 m -86.51 70.51 10.46 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.315 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -106.83 72.43 0.89 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.668 0.747 . . . . 0.0 111.114 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -76.69 81.77 3.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.787 176.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.5 pp -88.2 0.8 7.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.84 -176.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 87.8 mt -77.61 136.67 38.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.122 0.487 . . . . 0.0 111.098 -177.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.814 ' HG2' ' H ' ' A' ' 92' ' ' LEU . 58.5 ttp85 -96.0 -162.24 0.94 Allowed 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 175.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.814 ' H ' ' HG2' ' A' ' 91' ' ' ARG . 57.2 tp -57.21 112.92 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.655 0.264 . . . . 0.0 110.775 176.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.92 91.65 5.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.106 0.479 . . . . 0.0 110.95 -178.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.7 t -108.2 -159.82 0.7 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.711 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.417 ' O ' ' HG3' ' A' ' 99' ' ' LYS . . . 72.55 -54.79 0.68 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.842 0.857 . . . . 0.0 112.226 178.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.432 ' HA ' ' HE2' ' A' ' 99' ' ' LYS . 24.0 m-85 -67.23 -20.27 65.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.916 0.389 . . . . 0.0 110.928 -176.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -118.52 30.18 7.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.27 176.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -131.01 11.76 5.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.953 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.432 ' HE2' ' HA ' ' A' ' 96' ' ' TYR . 49.7 mtmt -103.96 17.68 23.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.873 -175.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 68.87 96.95 0.06 Allowed 'General case' 0 N--CA 1.466 0.329 0 O-C-N 124.111 0.882 . . . . 0.0 110.899 -177.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -70.15 148.06 49.14 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.706 -176.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -97.3 166.9 11.33 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 174.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -73.31 135.51 44.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.998 0.428 . . . . 0.0 110.242 -178.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 58.8 ttt-85 -141.16 147.28 38.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.123 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.404 ' HG ' ' N ' ' A' ' 106' ' ' TRP . 31.5 tp -116.16 169.85 8.96 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 176.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.626 ' HB3' ' HG2' ' A' ' 108' ' ' LYS . 88.8 m95 -87.53 127.28 35.25 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.763 0.316 . . . . 0.0 110.374 178.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -87.48 21.7 2.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.11 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.626 ' HG2' ' HB3' ' A' ' 106' ' ' TRP . 17.4 ptpt . . . . . 0 C--O 1.248 0.999 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.643 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 mmt . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.6 m -80.03 76.91 6.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.228 0.537 . . . . 0.0 110.825 -179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.67 ' HZ2' ' HB3' ' A' ' 3' ' ' LYS . 9.5 mtpm? -111.16 8.18 21.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.595 179.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -102.31 151.64 22.01 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.538 178.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.71 142.73 48.19 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.806 0.336 . . . . 0.0 111.494 -177.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.462 ' N ' ' HD3' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -147.0 147.14 30.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.317 178.724 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -105.16 139.16 40.24 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.768 -177.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.8 m -66.32 150.77 96.75 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.521 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.403 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 71.6 Cg_exo -49.26 -50.6 12.51 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.489 2.792 . . . . 0.0 113.617 -177.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -67.67 -30.28 69.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.924 0.392 . . . . 0.0 110.857 -176.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.3 t -69.95 -40.1 78.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -61.19 -40.53 94.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.12 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 9' ' ' PRO . 15.2 mm-40 -63.71 -49.67 72.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.768 178.521 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -59.17 -40.27 85.1 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.566 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.455 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -55.61 -51.59 66.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.074 178.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 51.8 t -65.81 -42.66 92.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.948 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -59.74 -45.62 91.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.977 -178.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 71.8 mtm -59.51 -44.68 93.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.665 0.269 . . . . 0.0 110.93 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 15' ' ' ALA . 98.7 t -59.88 -44.97 95.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.771 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.9 mt -67.84 -41.82 82.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.287 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -61.59 -51.52 68.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.322 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.4 m -67.29 -27.39 67.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.631 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.703 HE21 ' HB3' ' A' ' 29' ' ' GLN . 34.9 tt0 -60.52 -34.78 74.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.038 0.447 . . . . 0.0 110.141 176.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.04 -22.72 76.19 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.568 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -94.18 -18.8 21.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.945 0.402 . . . . 0.0 110.83 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -109.63 -163.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.668 175.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -111.29 -36.22 5.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.988 0.423 . . . . 0.0 110.644 177.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 t -117.64 140.45 49.63 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.078 -175.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.703 ' HB3' HE21 ' A' ' 23' ' ' GLN . 9.4 pt20 -73.2 -27.77 61.81 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-O 121.076 0.465 . . . . 0.0 109.747 175.003 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 9.4 m-90 -70.92 -23.16 62.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.209 0.528 . . . . 0.0 110.163 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.26 -26.24 52.27 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.797 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.6 p -91.97 -40.53 11.07 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.992 179.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.807 HG21 HD22 ' A' ' 47' ' ' LEU . 70.2 mt -51.81 -47.01 40.48 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.576 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.2 p -67.76 -14.77 63.23 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 -177.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.0 t -98.83 -19.14 17.56 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.154 0.502 . . . . 0.0 110.704 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.7 mt -102.67 -43.63 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.73 -175.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.538 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . . . -54.37 -50.77 83.11 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -176.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.538 ' HD3' ' HB2' ' A' ' 37' ' ' ALA . 24.6 Cg_exo -64.32 -25.45 64.23 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 122.042 1.828 . . . . 0.0 112.296 179.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -76.61 -29.57 56.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.195 0.521 . . . . 0.0 110.272 -179.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.6 mt -83.7 -42.67 17.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.348 0.594 . . . . 0.0 109.718 175.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.87 16.59 9.09 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.717 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.5 p -109.4 168.75 9.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.816 0.341 . . . . 0.0 110.571 -178.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.3 p -83.32 143.16 44.47 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.769 178.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -56.44 -37.52 97.03 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.764 2.31 . . . . 0.0 112.367 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.48 ' O ' HG23 ' A' ' 49' ' ' VAL . 48.7 mt-10 -63.16 -53.91 45.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.088 -178.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.2 m -65.25 -33.31 75.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.466 -178.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.807 HD22 HG21 ' A' ' 33' ' ' ILE . 55.1 tp -61.54 -42.52 98.95 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.845 0.355 . . . . 0.0 110.164 176.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -65.16 -37.08 86.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.506 177.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 45' ' ' GLU . 91.8 t -59.3 -41.03 82.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.756 178.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 32.1 m0 -60.7 -44.15 96.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.794 177.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.47 -46.39 96.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.135 176.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -60.64 -42.57 97.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.845 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 14.5 mm100 -66.73 -25.68 66.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.772 179.4 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -78.9 -30.88 45.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.71 174.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -68.54 -41.5 79.75 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 175.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.7 ttt85 -66.97 -37.87 85.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.078 0.466 . . . . 0.0 110.268 174.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -58.17 -50.96 71.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.616 176.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.8 m -71.06 -33.18 70.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.649 -179.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.49 -84.71 0.63 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.288 176.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.97 103.43 1.72 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.356 178.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -71.15 -77.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 176.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 59.2 21.14 9.22 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.068 177.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 107.1 -139.53 14.96 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.542 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 150.99 136.33 2.49 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 121.199 -0.524 . . . . 0.0 111.851 -177.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 94.4 mt -95.89 156.65 16.24 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.2 t -88.32 -3.98 58.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.137 0.494 . . . . 0.0 110.815 -178.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.95 90.11 2.97 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.932 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.92 147.71 48.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.518 173.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 54.0 mp0 -57.06 -48.88 77.49 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.446 0.466 . . . . 0.0 110.509 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.5 ttm-85 67.94 5.06 4.32 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.733 0.646 . . . . 0.0 110.991 177.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -77.96 101.51 6.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.084 0.469 . . . . 0.0 110.244 -178.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -89.29 114.2 25.55 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.36 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 26.1 tp -82.08 42.66 0.74 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.686 -170.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -145.82 92.1 2.17 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 173.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 58.03 75.52 0.53 Allowed Pre-proline 0 C--N 1.329 -0.286 0 O-C-N 123.58 0.55 . . . . 0.0 110.734 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -63.6 138.72 66.14 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.703 2.269 . . . . 0.0 112.245 -176.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -75.35 86.49 2.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.478 0.656 . . . . 0.0 110.904 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -105.05 -4.03 22.45 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.556 177.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -66.9 113.7 5.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.408 -170.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -132.02 25.75 4.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.47 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 54.3 mtt85 -58.63 -57.06 14.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.585 178.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -79.98 -27.95 39.6 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.165 0.507 . . . . 0.0 110.406 -178.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.1 tt -84.98 75.39 10.39 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.383 0.611 . . . . 0.0 109.78 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 64.7 mtt85 -125.54 149.58 48.2 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.421 176.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.415 ' H ' ' HG2' ' A' ' 85' ' ' ARG . 3.4 ptp85 -81.78 66.27 7.27 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.525 0.678 . . . . 0.0 110.913 178.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.0 t -102.8 120.35 40.45 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -86.02 -25.05 26.17 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.042 0.449 . . . . 0.0 110.159 -176.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -76.95 87.05 3.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.89 176.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 14.5 tt 178.7 140.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.66 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.1 mp -122.25 98.72 6.06 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 176.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -82.25 145.8 29.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.083 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 43.9 tp -76.96 87.7 3.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.366 0.603 . . . . 0.0 110.495 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -109.89 123.54 49.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.069 178.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.2 t -154.29 93.26 1.59 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.993 0.425 . . . . 0.0 110.145 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.78 114.22 23.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -96.96 106.85 19.26 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.829 178.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -83.75 101.46 11.59 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.341 0.591 . . . . 0.0 109.625 174.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.99 -32.06 63.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.631 -174.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -122.71 157.23 32.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.023 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -97.66 -53.11 3.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.741 176.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -173.61 178.66 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.754 178.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -111.23 154.36 24.54 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 -178.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.416 ' CG ' ' H ' ' A' ' 104' ' ' ARG . 8.1 t70 -109.73 -164.78 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.416 ' H ' ' CG ' ' A' ' 103' ' ' ASP . 64.2 ttp85 -112.29 121.23 44.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.955 0.407 . . . . 0.0 110.389 178.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 92.8 mt -104.39 110.28 22.46 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.129 177.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 74.1 t-105 -78.33 -40.68 35.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.56 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 16.6 tptm -132.09 117.96 19.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.375 178.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 46.6 mttp . . . . . 0 C--O 1.245 0.83 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 173.733 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 120.817 0.341 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.8 m -64.43 -38.62 91.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.089 0.471 . . . . 0.0 110.502 177.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -122.25 -26.68 4.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.781 -178.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -98.64 126.76 44.34 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.084 0.468 . . . . 0.0 111.969 -175.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.2 p 52.47 82.9 0.06 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 114.872 -1.058 . . . . 0.0 113.143 178.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.2 ptt85 -109.75 104.18 13.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.182 174.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -120.2 100.32 7.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.705 -179.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.48 ' HB2' HG21 ' A' ' 11' ' ' VAL . 15.7 m -88.59 136.9 30.69 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.439 178.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -53.31 -36.08 76.99 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.914 2.409 . . . . 0.0 112.424 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.99 -33.01 70.21 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.041 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.48 HG21 ' HB2' ' A' ' 8' ' ' SER . 72.0 t -67.25 -48.98 76.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.348 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 49.6 mtm180 -64.19 -40.13 95.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.1 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -53.95 -57.97 9.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.463 176.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -63.38 -33.55 75.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.18 -177.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.574 ' O ' HG21 ' A' ' 19' ' ' VAL . . . -59.5 -60.85 3.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.818 177.183 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.496 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 61.8 t -63.87 -39.98 87.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.639 -178.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.512 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 40.6 ttt-85 -55.45 -52.01 65.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.377 177.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.454 ' HE1' HG22 ' A' ' 36' ' ' ILE . 34.2 ttp -60.72 -36.93 80.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.847 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.574 HG21 ' O ' ' A' ' 15' ' ' ALA . 98.8 t -60.76 -49.81 83.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.641 0.258 . . . . 0.0 110.383 176.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 78.3 mt -61.75 -48.12 82.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.292 -177.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 17' ' ' ARG . 39.5 mt-10 -73.82 -14.34 61.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.711 -174.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.2 m -92.69 -27.69 17.11 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 172.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -67.17 -26.96 66.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.513 178.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.42 -13.09 59.98 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.478 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -111.69 -48.89 3.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.851 0.358 . . . . 0.0 110.643 178.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -65.34 155.19 36.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.568 0.699 . . . . 0.0 112.667 -174.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -76.5 -35.14 58.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.332 -177.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.6 t -125.11 143.11 51.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.191 -175.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -74.13 -23.56 59.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.49 176.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 64.4 t90 -72.35 -36.76 68.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.545 174.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.95 -38.44 91.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.01 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.8 p -69.3 -50.02 50.61 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.786 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.5 mt -56.85 -46.11 83.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.8 0.333 . . . . 0.0 110.929 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.9 t -65.17 -23.77 67.2 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.428 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.0 m -92.68 -22.26 19.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.807 0.337 . . . . 0.0 111.24 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.454 HG22 ' HE1' ' A' ' 18' ' ' MET . 79.2 mt -93.35 -27.03 4.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.011 0.434 . . . . 0.0 111.027 -177.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.431 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . . . -50.4 -53.71 42.28 Favored Pre-proline 0 CA--C 1.541 0.602 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.343 177.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.431 ' HD3' ' HB2' ' A' ' 37' ' ' ALA . 74.4 Cg_endo -73.57 -0.74 9.72 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.139 1.893 . . . . 0.0 113.229 -179.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -86.9 -28.44 22.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.176 0.513 . . . . 0.0 109.98 177.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.9 mt -106.21 -41.37 6.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.477 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.25 19.85 8.21 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 -176.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.3 p -105.64 147.8 28.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.684 0.278 . . . . 0.0 110.987 -177.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.506 ' HB ' ' OG1' ' A' ' 46' ' ' THR . 36.8 m -69.96 138.67 87.67 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.059 177.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -49.09 -40.42 41.57 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.991 2.46 . . . . 0.0 113.19 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.493 ' O ' HG21 ' A' ' 49' ' ' VAL . 6.6 mm-40 -68.27 -32.55 72.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.923 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.506 ' OG1' ' HB ' ' A' ' 43' ' ' THR . 2.1 m -69.79 -41.99 74.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.216 0.531 . . . . 0.0 109.785 177.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.572 HD13 HG23 ' A' ' 19' ' ' VAL . 1.1 tm? -59.08 -43.15 91.79 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.509 -0.769 . . . . 0.0 108.931 175.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -55.74 -38.13 69.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.067 178.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.493 HG21 ' O ' ' A' ' 45' ' ' GLU . 84.3 t -64.52 -45.89 94.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.978 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.467 ' HE3' HD23 ' A' ' 47' ' ' LEU . 17.0 m0 -63.77 -33.36 75.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.943 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.546 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 84.8 t -62.49 -45.93 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.117 175.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -60.94 -42.99 99.28 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.84 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -60.74 -37.7 82.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.785 0.326 . . . . 0.0 110.145 179.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.454 ' O ' ' HB3' ' A' ' 57' ' ' ASP . 57.9 t-80 -67.22 -48.21 68.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.006 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 51' ' ' VAL . 5.5 mm-40 -68.41 -43.27 77.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.6 -177.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -69.91 -19.0 63.41 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.42 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.454 ' HB3' ' O ' ' A' ' 54' ' ' HIS . 5.6 t70 -65.81 -37.3 85.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.706 176.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.3 m -99.16 -35.96 9.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.284 -176.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -133.52 65.36 0.59 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.281 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.44 ' HA2' HG23 ' A' ' 66' ' ' THR . . . -106.66 -22.83 7.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.265 -179.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -92.32 -51.68 5.04 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 175.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -135.53 141.64 45.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.68 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 144.04 -72.52 0.36 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.02 -0.61 . . . . 0.0 111.812 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.92 -159.11 28.49 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.35 177.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.2 tp -85.32 65.47 9.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.389 0.614 . . . . 0.0 109.73 177.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.44 HG23 ' HA2' ' A' ' 60' ' ' GLY . 11.1 p -97.25 -1.69 44.28 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.624 -179.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.4 p -83.39 136.02 34.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.607 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -84.17 -72.84 0.45 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 52.23 86.26 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 O-C-N 123.859 0.724 . . . . 0.0 112.599 175.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.9 ttt-85 57.09 90.67 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.214 175.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -161.91 137.58 7.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 122.147 -0.346 . . . . 0.0 111.081 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -78.69 141.28 38.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.603 174.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.0 mt -109.93 151.85 26.57 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.93 0.395 . . . . 0.0 110.774 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -78.33 4.71 12.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.803 176.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 60.0 84.58 0.2 Allowed Pre-proline 0 CA--C 1.529 0.156 0 O-C-N 123.838 0.711 . . . . 0.0 109.763 -175.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -60.02 -38.07 80.52 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.721 2.948 . . . . 0.0 114.4 -167.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -90.28 90.86 8.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.544 0.688 . . . . 0.0 110.918 -176.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -100.88 154.02 19.01 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.432 175.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -84.48 140.32 31.56 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -67.36 135.36 53.12 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.385 0.612 . . . . 0.0 110.358 -177.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -95.16 112.11 23.86 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.428 -174.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -96.01 13.56 26.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.713 -178.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 97.6 mt -74.57 90.48 2.25 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 175.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -94.94 142.61 27.27 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.114 -173.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -158.81 -63.53 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.302 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.8 t -132.26 82.62 2.03 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 175.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -104.79 12.05 33.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.775 -177.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -82.13 36.26 0.46 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.268 -176.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 70.8 mt 68.36 104.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.909 -178.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 90' ' ' LEU . 6.6 mp -66.42 104.75 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.156 178.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -125.66 168.68 13.4 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.417 -177.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 62.0 tp -52.12 129.4 27.48 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.118 0.261 . . . . 0.0 110.995 177.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 76.62 -4.98 2.26 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 124.019 0.824 . . . . 0.0 111.924 178.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.0 t -112.13 -27.92 8.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.736 0.303 . . . . 0.0 110.346 177.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.75 106.75 8.6 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.569 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 74.14 111.41 0.07 Allowed 'General case' 0 N--CA 1.466 0.365 0 O-C-N 124.133 0.895 . . . . 0.0 111.948 178.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -88.87 164.38 15.21 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.369 175.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -114.59 146.06 41.24 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.564 0.221 . . . . 0.0 110.703 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -81.9 91.12 6.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.99 0.424 . . . . 0.0 110.849 178.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.23 -30.49 38.56 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 173.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 63.31 20.12 12.08 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.847 177.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -75.81 -37.47 59.08 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 176.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -106.77 121.07 43.65 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.217 175.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -114.47 116.68 29.23 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.931 0.396 . . . . 0.0 111.055 -175.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.5 mp -80.92 -78.59 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -143.16 -176.09 4.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.833 177.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -99.12 -3.5 34.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.526 0.679 . . . . 0.0 110.638 -177.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 44.7 tttm . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.626 -0.702 . . . . 0.0 110.226 178.491 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.6 mtt . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 120.666 0.27 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.1 m -70.97 83.45 0.67 Allowed 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 173.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -152.59 -58.87 0.14 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.27 -174.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -101.47 99.06 9.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.843 176.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.5 m -115.34 113.59 24.02 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.875 177.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -126.75 -171.82 2.49 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.4 -174.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -84.79 138.76 32.4 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.0 m -57.63 130.96 82.05 Favored Pre-proline 0 C--N 1.323 -0.566 0 O-C-N 123.415 0.447 . . . . 0.0 111.014 -177.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.62 -23.61 26.33 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.251 2.634 . . . . 0.0 112.594 178.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -55.58 -41.19 73.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.467 177.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.2 t -67.08 -43.26 88.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.562 -179.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -65.2 -36.05 82.97 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.855 HE21 ' HA ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -66.3 -46.71 76.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.32 176.791 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -57.97 -53.52 57.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.395 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.475 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -58.93 -59.67 5.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.564 -0.743 . . . . 0.0 112.163 -174.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.4 t -58.46 -41.14 80.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.448 -175.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.4 ttp85 -62.34 -45.08 94.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.697 -178.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.555 ' HG2' HD11 ' A' ' 36' ' ' ILE . 50.5 ttm -68.89 -31.7 70.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.877 -178.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 15' ' ' ALA . 77.7 t -65.22 -52.71 49.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.415 175.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.1 mt -58.28 -41.92 85.41 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.943 0.401 . . . . 0.0 110.675 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -56.24 -48.24 76.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.832 178.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.426 ' HB2' HG21 ' A' ' 32' ' ' THR . 16.1 m -77.23 -24.8 51.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -178.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -68.1 -19.72 64.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.308 0.575 . . . . 0.0 109.975 175.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.98 -1.77 69.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.789 173.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -117.92 -53.96 2.35 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 178.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -77.25 144.17 38.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.557 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -89.8 -14.63 34.07 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.426 0.631 . . . . 0.0 109.625 176.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.0 t -103.64 129.02 50.87 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.643 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.443 ' NE2' HG12 ' A' ' 51' ' ' VAL . 59.8 tp60 -67.22 -39.86 86.31 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.62 176.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 18.9 m-90 -68.81 -40.9 79.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.963 -176.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.56 -30.62 68.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.94 0.4 . . . . 0.0 110.669 176.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.426 HG21 ' HB2' ' A' ' 22' ' ' SER . 27.4 m -76.75 -44.17 34.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.616 178.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.443 HG21 HD23 ' A' ' 47' ' ' LEU . 83.9 mt -61.42 -48.18 90.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.003 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 80.5 m -69.43 -13.44 62.36 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -175.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.9 p -98.73 -38.82 8.93 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.438 179.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.555 HD11 ' HG2' ' A' ' 18' ' ' MET . 50.0 mm -79.64 -38.2 19.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.881 -175.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.505 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . . . -54.63 -54.78 45.11 Favored Pre-proline 0 CA--C 1.539 0.541 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -176.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.505 ' HD3' ' HB2' ' A' ' 37' ' ' ALA . 71.8 Cg_endo -75.71 -9.9 19.92 Favored 'Trans proline' 0 C--N 1.357 0.974 0 C-N-CA 122.103 1.869 . . . . 0.0 112.261 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -81.22 -40.71 23.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.429 0.633 . . . . 0.0 109.938 177.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.427 ' CD1' ' HA ' ' A' ' 15' ' ' ALA . 66.0 mt -83.01 -42.85 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.444 177.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.6 47.27 0.58 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.081 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 62.2 m -139.08 160.9 38.69 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.6 p -78.24 141.35 61.98 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-O 120.64 0.257 . . . . 0.0 110.963 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.53 -37.12 90.28 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 123.262 2.642 . . . . 0.0 112.928 -177.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.522 ' O ' HG22 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -71.55 -32.61 68.32 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.396 -178.15 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 97.1 m -71.41 -40.0 70.76 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.443 HD23 HG21 ' A' ' 33' ' ' ILE . 41.4 tp -62.86 -40.19 96.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.192 177.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -56.28 -44.44 79.79 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.733 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 45' ' ' GLU . 81.2 t -59.3 -45.48 93.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 37.3 m0 -62.59 -39.09 92.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.262 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.443 HG12 ' NE2' ' A' ' 29' ' ' GLN . 94.2 t -64.73 -47.93 86.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.765 178.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -61.13 -39.71 91.08 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.018 177.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -63.33 -51.42 66.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.062 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -61.41 -35.8 78.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.766 0.317 . . . . 0.0 111.041 -178.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -65.23 -30.38 71.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.147 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 56' ' ' ARG . 23.6 ttt85 -83.13 -36.48 24.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.385 177.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -59.71 -64.69 0.86 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.344 0.592 . . . . 0.0 110.318 175.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.9 m -96.14 78.45 3.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.657 -177.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -106.59 -150.51 17.72 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.826 178.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.91 49.91 4.04 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.772 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -102.66 -165.12 1.15 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -100.0 20.54 14.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.05 0.452 . . . . 0.0 109.962 174.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.652 ' HA2' ' HA ' ' A' ' 69' ' ' GLU . . . -77.95 109.71 2.88 Favored Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.849 -176.081 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.92 -54.75 2.23 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.779 173.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.29 -38.58 84.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.971 0.415 . . . . 0.0 111.101 -176.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.44 ' C ' ' H ' ' A' ' 68' ' ' ALA . 3.2 m -85.18 49.58 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.236 0.541 . . . . 0.0 110.732 -178.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.3 p 63.16 -8.47 0.13 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.006 1.322 . . . . 0.0 113.388 177.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.44 ' H ' ' C ' ' A' ' 66' ' ' THR . . . -166.98 157.64 11.76 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.652 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 33.7 tt0 -101.44 -61.27 1.4 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 175.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -136.98 158.01 45.42 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 175.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -55.94 124.19 16.84 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.867 0.365 . . . . 0.0 110.613 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -79.64 57.06 2.37 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.195 -176.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 44.4 tp -76.26 79.24 3.04 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.337 0.589 . . . . 0.0 110.708 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.447 ' O ' ' HD3' ' A' ' 76' ' ' PRO . 41.5 mtmt -122.87 15.41 10.06 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.158 176.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 36.0 mt-10 -83.19 102.43 1.82 Allowed Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.447 ' HD3' ' O ' ' A' ' 74' ' ' LYS . 79.8 Cg_endo -94.66 27.6 0.29 Allowed 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.213 2.609 . . . . 0.0 113.568 -168.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -111.95 106.84 15.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.044 0.45 . . . . 0.0 110.0 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -141.93 -37.15 0.41 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.722 -174.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -162.78 115.3 1.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.776 -175.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -111.97 -77.06 0.59 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.927 0.394 . . . . 0.0 110.363 175.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 72.6 mtt85 -145.5 127.54 15.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.306 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -137.2 -170.21 2.67 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 173.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 95.5 mt 66.06 24.8 10.95 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -172.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 84' ' ' ARG . 48.2 mtm180 68.14 131.33 0.03 OUTLIER 'General case' 0 C--O 1.231 0.125 0 CA-C-N 114.381 -1.281 . . . . 0.0 111.846 -177.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -82.94 149.1 27.24 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.749 -177.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.7 t -86.02 -174.66 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -142.18 143.03 32.76 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.126 0.489 . . . . 0.0 110.871 -178.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -129.81 136.9 50.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.581 177.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.4 mp -126.14 115.74 43.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.77 -174.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.3 tt -91.06 111.23 22.6 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 175.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -91.26 121.15 32.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.07 0.462 . . . . 0.0 110.723 -177.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.413 ' O ' HD22 ' A' ' 92' ' ' LEU . 7.5 tt -83.89 -33.55 24.75 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.04 84.24 1.78 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.249 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.503 ' HB2' ' HB3' ' A' ' 97' ' ' PHE . 25.2 p -119.56 97.57 5.71 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.645 174.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.02 121.22 14.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.81 -174.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 18.8 t80 62.77 19.88 11.75 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.124 175.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.503 ' HB3' ' HB2' ' A' ' 94' ' ' SER . 59.6 t80 -98.93 81.73 2.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.282 0.563 . . . . 0.0 110.784 -177.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -154.72 72.36 0.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.485 173.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 64.2 mttp 68.91 6.68 5.74 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.844 -175.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.43 ' O ' ' HB3' ' A' ' 101' ' ' GLU . . . 67.05 -65.57 0.21 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.078 0.951 . . . . 0.0 111.811 -179.115 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.482 ' HG2' ' CD2' ' A' ' 102' ' ' PHE . 44.0 tt0 74.39 110.65 0.07 Allowed 'General case' 0 C--O 1.235 0.296 0 O-C-N 123.791 0.682 . . . . 0.0 110.496 -175.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.482 ' CD2' ' HG2' ' A' ' 101' ' ' GLU . 41.6 m-85 76.65 155.23 0.16 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.618 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 25.3 t0 77.24 157.85 0.19 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.024 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -148.05 170.54 17.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.571 -176.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 73.2 mt -108.12 32.1 5.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.124 0.487 . . . . 0.0 110.313 -177.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 30.6 t-105 -94.51 5.21 52.51 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.589 -176.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 63.4 tttp 69.44 111.46 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 123.399 0.68 . . . . 0.0 110.916 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.153 -178.633 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.483 1.184 0 CA-C-O 120.733 0.301 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.5 t -167.12 132.75 2.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.82 174.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -150.82 113.17 4.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.228 0.537 . . . . 0.0 110.761 -178.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -79.07 117.78 20.44 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.987 176.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.7 t -114.16 156.94 23.33 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.98 0.419 . . . . 0.0 110.904 -177.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.427 ' HG2' ' CD2' ' A' ' 7' ' ' PHE . 24.4 ttp180 -116.18 -78.14 0.58 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 177.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.427 ' CD2' ' HG2' ' A' ' 6' ' ' ARG . 76.5 m-85 -145.78 96.01 2.74 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 176.03 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 p -65.73 137.11 96.12 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.651 -179.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -57.2 -24.45 59.16 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.138 2.559 . . . . 0.0 112.453 -178.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -57.07 -43.73 82.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.433 177.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.1 t -63.19 -43.26 98.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.15 -177.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.462 ' O ' HG22 ' A' ' 16' ' ' VAL . 54.7 mtm180 -58.1 -56.01 27.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.739 -178.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -65.72 -36.74 84.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.042 -176.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -59.83 -47.72 84.57 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.358 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.516 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -66.79 -49.58 65.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.261 -179.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 12' ' ' ARG . 97.5 t -58.05 -47.61 86.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.253 -178.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -64.09 -35.32 80.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.896 0.379 . . . . 0.0 110.608 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 46.4 ttm -66.33 -39.87 89.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.911 177.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.516 HG22 ' O ' ' A' ' 15' ' ' ALA . 84.3 t -62.28 -47.09 94.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.367 175.371 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 92.4 mt -59.53 -49.29 78.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.333 -178.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -58.66 -39.41 80.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.892 0.377 . . . . 0.0 111.025 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.452 ' HB2' HG22 ' A' ' 32' ' ' THR . 16.7 m -80.26 -21.58 42.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.179 -178.371 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -74.39 -20.86 59.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.297 0.57 . . . . 0.0 109.584 175.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.68 -13.55 75.29 Favored Glycine 0 N--CA 1.449 -0.459 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 172.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -89.31 -58.0 2.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.282 0.563 . . . . 0.0 110.353 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -100.01 -175.45 2.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.929 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -118.89 0.91 11.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.453 0.644 . . . . 0.0 109.434 173.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.473 ' HG ' ' HE3' ' A' ' 30' ' ' TRP . 34.7 t -112.69 115.4 28.5 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.951 -176.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -67.65 -28.31 67.6 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 173.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.473 ' HE3' ' HG ' ' A' ' 28' ' ' SER . 5.6 m-90 -61.0 -51.3 69.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.461 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.44 -37.68 88.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.717 178.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.452 HG22 ' HB2' ' A' ' 22' ' ' SER . 90.7 m -61.43 -57.38 12.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.95 178.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 98.2 mt -62.41 -37.65 79.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.228 -177.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.0 t -63.11 -22.48 66.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.228 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.9 m -90.84 -23.94 20.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.931 0.396 . . . . 0.0 110.939 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.1 mt -89.68 -34.14 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.21 -176.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.568 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -53.38 -51.86 71.79 Favored Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -178.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.568 ' HD3' ' HB1' ' A' ' 37' ' ' ALA . 6.4 Cg_exo -75.82 -10.42 19.9 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.339 2.026 . . . . 0.0 112.462 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -80.7 -39.46 27.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.103 0.478 . . . . 0.0 110.152 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.6 mt -89.0 -46.31 15.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.059 177.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.42 48.87 0.95 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.549 -177.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.7 p -144.12 167.02 23.38 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 -178.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.402 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 1.3 p -70.0 138.5 87.53 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.363 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 43' ' ' THR . 68.2 Cg_exo -51.85 -43.21 53.26 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.509 2.806 . . . . 0.0 113.954 -176.234 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' O ' HG21 ' A' ' 49' ' ' VAL . 42.8 mt-10 -62.18 -27.13 68.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.631 0.253 . . . . 0.0 111.259 -176.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.4 m -64.1 -36.0 82.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.299 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.492 ' O ' HG22 ' A' ' 51' ' ' VAL . 3.4 mm? -61.25 -46.67 89.43 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.431 178.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -61.08 -33.9 74.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.679 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.452 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 86.7 t -60.4 -51.97 66.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.958 178.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 29.3 m0 -62.93 -39.8 95.67 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.783 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 47' ' ' LEU . 89.9 t -65.04 -42.19 93.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.359 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -62.92 -34.08 76.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.327 -179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' A' ' 49' ' ' VAL . 97.7 mt-30 -60.38 -46.34 90.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.128 174.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -66.0 -45.16 82.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.159 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -71.7 -22.43 61.64 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.728 -176.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.573 ' O ' ' HB2' ' A' ' 61' ' ' ASP . 43.1 ttp180 -81.07 -45.9 15.79 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 175.309 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -63.47 -46.07 87.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.88 178.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.3 m -116.59 88.21 2.85 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.543 177.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.53 32.6 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.558 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.433 ' C ' ' H ' ' A' ' 62' ' ' ASP . . . 119.27 -96.44 0.65 Allowed Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.645 -0.788 . . . . 0.0 113.014 176.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.573 ' HB2' ' O ' ' A' ' 56' ' ' ARG . 22.8 t70 74.95 -28.21 0.19 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.741 0.816 . . . . 0.0 111.463 -177.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.433 ' H ' ' C ' ' A' ' 60' ' ' GLY . 50.9 m-20 -61.96 103.68 0.38 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.29 0.567 . . . . 0.0 111.106 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -165.93 -127.19 0.88 Allowed Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.743 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -177.66 -165.71 33.14 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.66 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.1 tt -76.03 -28.18 57.62 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 25.5 p -81.3 91.94 6.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.964 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.2 p -79.51 121.94 25.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.567 177.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -86.97 4.29 42.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.79 -177.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -65.72 -9.57 29.09 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.858 -177.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -108.06 -40.11 5.31 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.596 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -80.34 -26.3 38.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.058 0.456 . . . . 0.0 110.792 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -104.4 105.21 15.25 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 174.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.04 -53.41 31.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.182 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.406 ' HB3' ' HE2' ' A' ' 74' ' ' LYS . 35.1 ttpt 59.18 91.58 0.04 OUTLIER 'General case' 0 C--O 1.233 0.227 0 O-C-N 123.938 0.774 . . . . 0.0 110.147 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 65.18 87.88 0.12 Allowed Pre-proline 0 C--O 1.233 0.221 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.603 -170.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -61.29 111.44 1.12 Allowed 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 123.296 2.664 . . . . 0.0 113.303 -174.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -94.43 -21.72 18.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.559 176.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -139.13 144.76 38.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.791 -172.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -98.08 -179.13 4.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 173.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -80.06 74.22 6.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.411 0.624 . . . . 0.0 109.589 175.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -97.32 -7.49 31.9 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.248 -176.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -82.17 21.86 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.085 0.469 . . . . 0.0 111.029 -179.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.0 tp -106.8 24.52 12.58 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 177.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -88.41 103.31 15.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.959 -1.018 . . . . 0.0 112.75 -170.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.92 165.59 15.0 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 167.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.0 m -70.42 -21.79 62.79 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.826 0.346 . . . . 0.0 110.671 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -98.36 1.7 47.23 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.362 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -101.86 125.87 48.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.939 0.4 . . . . 0.0 110.002 175.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 25.7 pt -110.5 179.35 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 -177.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.9 mp 63.64 78.88 0.27 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.428 0.632 . . . . 0.0 110.841 -177.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.438 ' O ' ' HB2' ' A' ' 92' ' ' LEU . 79.1 mtm-85 -84.03 117.54 23.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.316 176.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 91' ' ' ARG . 87.4 mt 72.97 -76.98 0.06 Allowed 'General case' 0 N--CA 1.465 0.294 0 O-C-N 124.079 0.862 . . . . 0.0 110.568 -174.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -170.47 -71.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.901 0.381 . . . . 0.0 111.001 178.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.7 p -166.03 -40.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.826 -176.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 70.46 5.46 5.38 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.867 178.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.737 ' HE2' ' HA ' ' A' ' 99' ' ' LYS . 8.3 t80 -174.38 137.2 0.5 Allowed 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -179.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -72.74 -69.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.716 0.293 . . . . 0.0 111.401 -177.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.11 133.36 21.65 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.737 ' HA ' ' HE2' ' A' ' 96' ' ' TYR . 88.7 tttt -83.85 85.87 7.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.184 0.516 . . . . 0.0 110.03 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -165.12 157.6 15.83 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.393 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -95.12 78.75 3.53 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.212 0.529 . . . . 0.0 109.91 176.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -92.01 -31.63 15.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.645 -178.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -75.33 91.46 2.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.374 0.607 . . . . 0.0 109.929 177.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -146.11 8.39 1.08 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.956 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.07 95.44 5.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.834 -176.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 90.4 t90 -81.11 130.05 34.84 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.201 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 51.8 tptt -157.76 102.98 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.523 177.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 64.3 mttp . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.753 176.468 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.4 ttm . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 110.467 -0.197 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.1 m 75.73 -45.81 0.54 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 122.899 0.48 . . . . 0.0 111.993 174.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -83.8 81.54 8.72 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 178.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -67.92 151.62 46.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.44 -178.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.9 t -83.63 39.24 0.67 Allowed 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 121.266 0.555 . . . . 0.0 111.955 -170.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -159.77 159.6 32.93 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -70.16 134.36 48.04 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 176.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.509 ' HB3' HG21 ' A' ' 11' ' ' VAL . 47.0 t -71.98 147.36 91.13 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.438 -178.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -58.06 -24.85 68.03 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.627 2.218 . . . . 0.0 112.632 178.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.63 -13.78 57.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.788 0.328 . . . . 0.0 110.519 -178.023 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.509 HG21 ' HB3' ' A' ' 8' ' ' SER . 79.7 t -64.56 -42.79 96.16 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.22 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.738 177.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.406 ' O ' HG22 ' A' ' 16' ' ' VAL . 61.4 ttp180 -56.63 -49.06 76.09 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.131 -178.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -62.04 -43.41 98.9 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.158 0.504 . . . . 0.0 110.761 -178.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.443 HH22 HG22 ' A' ' 11' ' ' VAL . 35.4 ttp-105 -68.89 -42.46 76.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.99 -178.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.488 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -59.75 -45.53 91.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.554 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 12' ' ' ARG . 90.1 t -61.77 -39.83 84.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.876 0.369 . . . . 0.0 110.419 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -66.64 -37.28 84.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.177 177.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.8 mmt -59.57 -43.28 93.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.696 175.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.495 ' O ' ' HB2' ' A' ' 23' ' ' GLN . 85.9 t -56.9 -45.77 83.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.46 178.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.1 mt -69.72 -41.44 75.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.035 0.445 . . . . 0.0 110.816 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -57.8 -49.87 75.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.497 -178.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.531 ' HB3' HG23 ' A' ' 32' ' ' THR . 8.1 t -81.88 -13.85 57.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.344 -178.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.495 ' HB2' ' O ' ' A' ' 19' ' ' VAL . 34.6 tt0 -67.17 -25.34 66.11 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.616 0.722 . . . . 0.0 109.392 173.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.66 -6.17 76.3 Favored Glycine 0 CA--C 1.523 0.582 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.679 173.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -113.24 -57.41 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.671 -0.311 . . . . 0.0 110.937 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.406 ' HB2' ' HG1' ' A' ' 32' ' ' THR . 46.5 m-85 -69.94 137.94 51.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.629 0.252 . . . . 0.0 110.518 177.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -75.75 -38.58 58.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.109 0.481 . . . . 0.0 109.909 178.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 p -104.59 126.96 52.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.562 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -65.54 -19.86 66.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.375 -175.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -61.28 -47.13 87.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.985 0.422 . . . . 0.0 110.23 177.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.96 -34.8 78.93 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.35 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.531 HG23 ' HB3' ' A' ' 22' ' ' SER . 13.3 m -55.62 -58.37 8.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.67 176.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.625 HG22 HD21 ' A' ' 47' ' ' LEU . 71.7 mt -62.06 -36.46 74.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.824 -178.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.2 t -61.37 -40.79 95.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.665 -177.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.5 m -80.36 -28.49 38.02 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -176.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 32' ' ' THR . 74.3 mt -79.17 -27.14 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.809 0.338 . . . . 0.0 111.515 -176.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.583 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -54.79 -53.71 57.66 Favored Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -177.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.583 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 5.6 Cg_exo -77.65 -7.83 16.81 Favored 'Trans proline' 0 C--N 1.356 0.974 0 C-N-CA 122.334 2.022 . . . . 0.0 112.163 -179.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -74.22 -39.56 63.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.169 0.509 . . . . 0.0 110.098 178.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.9 mt -96.53 -41.46 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.414 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.61 48.88 0.57 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.066 -178.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 83.5 m -141.95 174.09 10.91 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.0 p -93.25 148.37 35.5 Favored Pre-proline 0 C--N 1.318 -0.781 0 C-N-CA 121.182 -0.207 . . . . 0.0 110.732 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.94 -35.75 90.35 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.88 2.387 . . . . 0.0 112.443 -178.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.526 ' O ' HG22 ' A' ' 49' ' ' VAL . 11.5 mm-40 -61.37 -43.59 98.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.293 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.4 m -65.16 -43.23 92.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.894 0.378 . . . . 0.0 110.713 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.625 HD21 HG22 ' A' ' 33' ' ' ILE . 53.0 tp -65.75 -38.43 89.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.425 178.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -58.28 -42.73 87.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.497 177.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' ' 45' ' ' GLU . 91.2 t -64.13 -42.83 96.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.009 178.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 48.5 m0 -59.43 -41.33 89.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.813 0.339 . . . . 0.0 111.089 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.443 HG21 ' O ' ' A' ' 47' ' ' LEU . 57.9 t -62.3 -48.92 86.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.557 178.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 36.6 ttm-85 -63.21 -38.28 90.56 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.151 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -66.78 -30.16 70.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.697 0.284 . . . . 0.0 110.93 177.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -71.15 -32.1 68.53 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 175.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -67.4 -41.86 84.25 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 174.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.444 ' HA ' ' CA ' ' A' ' 60' ' ' GLY . 46.3 ttp180 -61.43 -41.73 97.64 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.937 176.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -55.37 -45.82 76.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.378 178.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.3 m -76.22 -40.92 50.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.035 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -177.74 80.88 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.305 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.444 ' CA ' ' HA ' ' A' ' 56' ' ' ARG . . . -83.92 -32.07 24.74 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.85 -0.69 . . . . 0.0 111.742 179.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -129.05 -73.41 0.58 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 175.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.0 t70 54.04 91.96 0.02 OUTLIER 'General case' 0 C--O 1.234 0.263 0 O-C-N 124.265 0.978 . . . . 0.0 112.621 174.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 141.27 -153.77 24.16 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.966 176.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.27 -97.12 1.88 Allowed Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.528 177.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.618 ' H ' HD23 ' A' ' 65' ' ' LEU . 2.7 pt? -109.88 -6.73 15.13 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.547 0.203 . . . . 0.0 111.547 -176.15 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.4 t -83.36 -25.81 31.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.002 0.43 . . . . 0.0 110.681 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 p -88.4 94.72 9.95 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 121.291 0.567 . . . . 0.0 110.737 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.68 81.36 3.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.901 -175.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -176.73 130.6 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.097 174.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -126.14 -60.59 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 173.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -135.35 121.09 19.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.329 178.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -82.41 76.09 9.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.179 0.514 . . . . 0.0 111.33 -178.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.5 tp -167.03 -65.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.428 175.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.7 pttt -94.4 39.5 1.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.8 0.809 . . . . 0.0 109.201 173.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.524 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 2.4 tm-20 -64.41 -49.28 72.61 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 114.288 -1.323 . . . . 0.0 112.683 -175.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.524 ' HD3' ' HB3' ' A' ' 75' ' ' GLU . 34.8 Cg_exo -63.71 -10.58 22.81 Favored 'Trans proline' 0 C--N 1.36 1.156 0 C-N-CA 122.266 1.977 . . . . 0.0 113.07 -178.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 65.5 112.53 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.741 0.651 . . . . 0.0 111.569 178.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -106.88 9.96 30.73 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.078 0.466 . . . . 0.0 110.57 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -75.54 92.39 2.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.416 174.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -84.41 9.92 12.04 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.285 0.564 . . . . 0.0 110.665 -177.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -124.5 145.44 49.54 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -73.71 173.55 9.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.847 0.356 . . . . 0.0 111.187 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.2 mp -75.0 173.02 11.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.212 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -152.91 171.39 18.38 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.765 0.317 . . . . 0.0 110.752 -176.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 85' ' ' ARG . 14.8 ttm180 -117.27 85.7 2.38 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 170.512 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 26.7 m -52.67 109.26 0.38 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.168 0.509 . . . . 0.0 111.822 -173.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -143.42 142.72 31.33 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 177.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -106.74 94.76 5.3 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.064 0.459 . . . . 0.0 111.052 -175.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 69.2 mt -117.08 106.74 20.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.5 174.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.6 mp -106.57 -108.02 0.31 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.161 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.446 ' HD3' ' HA ' ' A' ' 91' ' ' ARG . 20.3 mmt180 -126.69 114.41 17.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.827 0.346 . . . . 0.0 110.567 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.882 ' HG ' ' H ' ' A' ' 93' ' ' ALA . 17.6 tp -158.36 -159.35 0.79 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.882 ' H ' ' HG ' ' A' ' 92' ' ' LEU . . . 68.0 86.75 0.13 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.32 0.581 . . . . 0.0 111.291 178.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 42.7 t -81.9 -63.36 1.4 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.519 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -163.78 167.96 20.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.329 -0.396 . . . . 0.0 109.943 -178.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -165.07 147.09 7.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.074 0.464 . . . . 0.0 111.374 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -116.03 135.26 54.12 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 170.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.97 74.2 5.49 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -172.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 55.7 25.87 8.71 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.657 172.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.87 -60.53 1.84 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 176.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -94.15 120.74 34.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.379 175.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -86.68 131.36 34.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.661 -176.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -99.2 105.12 17.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.832 0.349 . . . . 0.0 111.464 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 104' ' ' ARG . 16.5 ptt180 -122.82 117.82 26.54 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 170.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.3 mp -106.13 -36.83 6.79 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.272 -175.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 24.6 p-90 -128.11 29.61 5.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.884 -172.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -120.63 128.21 52.8 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.292 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.578 -0.725 . . . . 0.0 110.235 178.393 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.3 ttm . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.0 m 45.83 78.42 0.07 Allowed 'General case' 0 CA--C 1.53 0.178 0 O-C-N 123.891 0.745 . . . . 0.0 111.878 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -98.07 7.69 45.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.292 0.568 . . . . 0.0 110.166 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -76.68 88.69 3.35 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.22 -1.029 . . . . 0.0 108.22 169.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.0 m -88.93 105.33 17.7 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.517 0.675 . . . . 0.0 112.127 -170.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.7 ttm-85 -125.36 141.07 52.28 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.116 -0.947 . . . . 0.0 108.846 171.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -68.16 99.17 0.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.49 0.662 . . . . 0.0 111.323 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.2 m -66.27 158.51 77.09 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.418 177.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -47.88 -50.47 11.67 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.16 2.573 . . . . 0.0 113.199 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -57.56 -37.61 73.4 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.733 0.301 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.437 HG11 HG23 ' A' ' 40' ' ' ILE . 88.2 t -63.41 -43.8 98.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.519 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -64.51 -46.84 81.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.184 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -62.46 -41.67 98.92 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.496 178.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.427 ' O ' ' HG3' ' A' ' 18' ' ' MET . 5.7 tpp180 -56.75 -51.54 68.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.33 178.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.505 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -56.26 -54.3 47.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.372 -177.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 72.5 t -57.31 -44.67 84.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.497 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 47.7 ttt85 -63.98 -46.21 85.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.947 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.427 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 87.8 mtp -61.11 -35.78 77.94 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.907 0.384 . . . . 0.0 110.92 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 15' ' ' ALA . 69.7 t -63.76 -42.3 95.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.422 176.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.8 mt -67.35 -42.51 83.39 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.844 0.354 . . . . 0.0 110.776 179.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' A' ' 17' ' ' ARG . 44.7 mt-10 -57.76 -44.83 86.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.038 177.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.479 ' HB2' HG22 ' A' ' 32' ' ' THR . 16.4 m -78.77 -16.73 56.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.99 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.639 HE22 ' HB2' ' A' ' 29' ' ' GLN . 5.1 tp-100 -67.84 -28.93 67.98 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 175.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.59 3.52 59.44 Favored Glycine 0 CA--C 1.523 0.543 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.484 174.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -121.71 -45.57 2.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.982 0.42 . . . . 0.0 110.475 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -85.86 154.57 21.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.46 177.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -91.19 -21.81 20.95 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.37 0.605 . . . . 0.0 109.497 175.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.3 m -127.12 117.33 22.19 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.001 -178.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.639 ' HB2' HE22 ' A' ' 23' ' ' GLN . 10.2 tt0 -59.97 -19.03 50.03 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.108 178.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.9 t-105 -52.58 -45.57 66.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.531 177.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.59 -30.25 59.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.822 -178.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.479 HG22 ' HB2' ' A' ' 22' ' ' SER . 7.2 m -62.2 -49.23 76.61 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.972 -179.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.828 HG21 HD21 ' A' ' 47' ' ' LEU . 98.8 mt -55.68 -47.83 78.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.077 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 54.3 m -69.72 -15.04 63.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.646 -0.707 . . . . 0.0 112.117 -174.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.2 m -98.13 -36.19 10.15 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.715 -177.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.3 mt -85.66 -28.64 6.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.637 0.256 . . . . 0.0 111.512 -175.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.402 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -53.03 -52.81 61.96 Favored Pre-proline 0 CA--C 1.539 0.556 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.402 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 55.6 Cg_endo -69.64 -14.05 35.89 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.019 1.813 . . . . 0.0 113.209 -178.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -72.92 -49.64 28.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.995 0.426 . . . . 0.0 110.581 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.437 HG23 HG11 ' A' ' 11' ' ' VAL . 37.4 mt -86.74 -24.52 6.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.129 0.49 . . . . 0.0 110.361 -178.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.09 43.09 6.43 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.562 -179.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 86.4 m -122.54 152.22 40.59 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.908 0.385 . . . . 0.0 110.487 -178.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.409 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -66.72 125.56 90.86 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.322 179.333 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 43' ' ' THR . 32.7 Cg_exo -59.23 -30.24 92.45 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.91 2.407 . . . . 0.0 112.109 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -64.56 -40.94 96.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.565 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.4 m -67.48 -32.9 74.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.324 178.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.828 HD21 HG21 ' A' ' 33' ' ' ILE . 49.6 tp -63.76 -37.64 88.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.054 178.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 36.3 mtt180 -58.76 -38.97 79.65 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.229 0.538 . . . . 0.0 110.139 175.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.6 t -66.12 -42.89 92.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.583 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 30.9 m0 -61.13 -36.15 78.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.836 178.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 47' ' ' LEU . 87.9 t -59.42 -49.65 82.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.138 175.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -60.95 -53.12 61.13 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.473 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -61.15 -45.52 94.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.621 -173.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -66.9 -48.55 68.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.532 0.206 . . . . 0.0 111.349 -175.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -74.1 -20.91 60.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.841 0.353 . . . . 0.0 111.199 -174.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.1 -32.5 19.89 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -68.17 -51.41 46.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.682 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.1 m -80.55 78.5 7.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.256 0.55 . . . . 0.0 110.26 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 132.71 -115.54 1.61 Allowed Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 -176.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.71 -177.38 16.56 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.807 176.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -104.56 150.21 24.83 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -68.21 -62.67 1.29 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.908 0.385 . . . . 0.0 110.841 -176.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.1 2.87 54.66 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.045 177.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -134.56 158.2 23.33 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.367 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 64.3 tp -76.34 -60.18 2.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.195 0.522 . . . . 0.0 109.638 176.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.0 m -128.18 25.56 5.84 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 175.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.426 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 21.3 m 64.17 -92.86 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 114.301 -1.318 . . . . 0.0 110.091 -173.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 67' ' ' THR . . . 167.1 -70.82 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 123.915 0.886 . . . . 0.0 109.239 179.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -155.16 135.03 12.84 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.103 -0.953 . . . . 0.0 108.865 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 70' ' ' ARG . 11.6 ttp85 -58.7 -55.13 39.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.82 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -103.93 95.01 5.71 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.162 0.506 . . . . 0.0 110.44 175.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 58.4 ttp85 -86.48 102.8 14.42 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.171 178.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.0 mt -98.23 22.35 9.69 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -169.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -139.67 149.02 43.2 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.768 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 67.01 113.72 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.304 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.844 174.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.4 112.18 1.67 Allowed 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.562 2.174 . . . . 0.0 111.138 174.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.85 153.84 31.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.124 -175.32 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.522 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 9.3 ttp180 -107.93 -72.46 0.72 Allowed 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.62 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' A' ' 78' ' ' ARG . 5.2 mm-40 -169.52 29.0 0.02 OUTLIER 'General case' 0 C--O 1.235 0.335 0 C-N-CA 124.339 1.056 . . . . 0.0 108.483 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -76.19 88.94 3.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.929 -172.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -103.08 11.85 36.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.182 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -72.19 146.31 47.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.364 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 89.1 mt -102.8 -160.62 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.932 0.396 . . . . 0.0 111.117 -177.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.0 mtt-85 -100.2 -178.63 3.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.938 -177.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -78.9 13.49 1.71 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.0 0.428 . . . . 0.0 111.563 -178.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.1 p -98.06 -54.73 2.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.611 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 21.0 m120 59.91 -156.01 0.35 Allowed 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.331 0.395 . . . . 0.0 110.166 -176.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -116.95 131.65 56.9 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 174.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 27.9 pt -134.66 1.72 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.861 0.362 . . . . 0.0 111.053 -178.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 56.0 tp -125.25 130.88 52.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.814 -175.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -71.44 116.23 11.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.911 176.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.4 mt -104.77 -168.91 1.54 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.071 -176.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 67.44 -85.15 0.03 OUTLIER 'General case' 0 C--O 1.235 0.308 0 O-C-N 124.031 0.832 . . . . 0.0 111.791 178.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.1 p -136.27 99.23 4.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.316 0.579 . . . . 0.0 111.589 -176.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.36 -70.74 0.48 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 173.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -144.01 144.8 31.82 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.246 173.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -97.94 115.64 28.55 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.48 -26.97 67.43 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.912 -174.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.8 mttp 72.59 -46.07 0.64 Allowed 'General case' 0 N--CA 1.473 0.686 0 O-C-N 123.807 0.692 . . . . 0.0 111.589 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 68.62 24.35 6.9 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 123.439 0.696 . . . . 0.0 111.291 178.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -75.4 122.99 24.62 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 174.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -87.42 111.22 20.9 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 -166.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.455 ' CG ' ' H ' ' A' ' 104' ' ' ARG . 3.2 t70 67.95 -165.94 0.2 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 114.689 -1.141 . . . . 0.0 112.346 168.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.455 ' H ' ' CG ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER 68.1 70.43 0.32 Allowed 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.67 0.788 . . . . 0.0 110.299 -173.644 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 44.8 tp -84.49 -62.06 1.64 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.516 -178.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -91.31 107.45 19.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.076 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -63.25 -53.79 47.5 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.545 -176.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 65.4 tttm . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.454 -0.784 . . . . 0.0 109.583 178.487 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p -61.72 107.02 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -175.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.6 mttp -133.4 -0.51 3.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.369 167.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -90.33 -0.39 57.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.971 177.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.6 m -70.24 88.9 0.63 Allowed 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.519 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 22.3 tpp85 -104.11 145.17 30.57 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.053 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -66.23 123.26 19.45 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 176.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.4 m -55.39 136.9 69.33 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.47 -32.84 75.22 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.134 2.556 . . . . 0.0 112.061 -178.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -59.68 -43.41 94.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.053 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.4 t -69.22 -44.3 80.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.311 -178.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -62.23 -41.8 98.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.511 178.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -66.38 -47.83 72.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.554 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -60.89 -37.41 82.11 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.497 ' O ' HG21 ' A' ' 19' ' ' VAL . . . -56.8 -60.61 3.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 178.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.6 t -58.95 -40.19 79.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.548 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -55.78 -54.21 47.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.41 178.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 70.7 mtm -66.49 -31.29 71.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.566 -175.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.497 HG21 ' O ' ' A' ' 15' ' ' ALA . 96.8 t -66.31 -40.57 87.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.874 0.369 . . . . 0.0 110.865 177.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.6 mt -68.14 -47.57 67.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.343 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -66.47 -28.83 68.89 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -176.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.2 p -80.89 -32.14 34.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.123 0.487 . . . . 0.0 110.194 176.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.4 -19.93 65.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.541 175.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.4 -13.94 61.28 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.77 175.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -119.47 -45.55 2.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.91 0.355 . . . . 0.0 110.933 178.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -78.82 136.1 37.25 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.111 178.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -70.66 -44.09 67.78 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.208 0.527 . . . . 0.0 110.669 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.6 t -89.58 122.18 32.48 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.349 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.558 ' O ' HG13 ' A' ' 33' ' ' ILE . 52.6 tt0 -74.48 -22.21 59.2 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -66.41 -29.39 69.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.65 175.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.6 -32.15 63.94 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.091 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.0 p -77.96 -31.06 50.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.809 0.338 . . . . 0.0 110.353 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 29' ' ' GLN . 75.8 mt -56.73 -49.37 78.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 177.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.7 p -80.07 -7.63 58.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.79 0.328 . . . . 0.0 111.215 -179.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.402 ' O ' ' HD2' ' A' ' 38' ' ' PRO . 22.3 t -92.36 -37.56 12.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.991 0.425 . . . . 0.0 110.534 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.8 mp -87.45 -22.44 6.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.987 -178.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.519 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . . . -49.19 -48.81 72.87 Favored Pre-proline 0 CA--C 1.542 0.667 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 178.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.519 ' HD3' ' HB2' ' A' ' 37' ' ' ALA . 20.2 Cg_exo -66.22 -21.82 54.54 Favored 'Trans proline' 0 C--N 1.358 1.051 0 C-N-CA 122.068 1.845 . . . . 0.0 112.643 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -75.95 -32.27 59.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.041 0.448 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.6 mt -89.3 -36.53 8.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.932 176.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.52 36.87 4.7 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -176.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.556 ' HG ' ' HZ3' ' A' ' 50' ' ' TRP . 23.0 p -129.27 173.59 10.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.076 0.465 . . . . 0.0 111.069 -176.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.4 m -87.34 144.44 35.89 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.253 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -43.37 -44.3 10.45 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.116 2.544 . . . . 0.0 112.93 175.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.51 ' O ' HG22 ' A' ' 49' ' ' VAL . 8.9 tp10 -58.47 -46.93 85.64 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.886 0.374 . . . . 0.0 110.864 176.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.6 m -58.04 -39.4 78.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.859 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.503 HD22 ' HA ' ' A' ' 33' ' ' ILE . 41.8 tp -68.01 -38.09 82.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.207 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.404 HH21 ' CD ' ' A' ' 45' ' ' GLU . 28.5 ttp180 -66.48 -32.89 74.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.262 177.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.586 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 90.5 t -59.58 -46.55 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.597 176.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.556 ' HZ3' ' HG ' ' A' ' 42' ' ' CYS . 9.2 m0 -62.71 -39.37 93.81 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.894 0.378 . . . . 0.0 110.843 178.247 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 47' ' ' LEU . 89.8 t -64.3 -40.36 88.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.22 176.139 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -64.49 -36.35 83.9 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.655 178.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 84.0 mm-40 -62.01 -44.48 96.64 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 176.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.532 ' HA ' ' HB3' ' A' ' 57' ' ' ASP . 81.1 t60 -70.81 -29.39 65.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.51 178.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -59.5 -46.12 89.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.149 176.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -75.65 -36.37 60.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.778 0.323 . . . . 0.0 110.478 177.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.532 ' HB3' ' HA ' ' A' ' 54' ' ' HIS . 6.3 t70 -52.15 -45.55 65.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.774 177.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.1 m -102.83 -15.84 16.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.501 -176.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -94.07 -8.93 59.91 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.755 -0.736 . . . . 0.0 113.448 -175.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 129.57 132.1 3.44 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.363 177.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -69.18 150.91 46.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.266 0.555 . . . . 0.0 111.231 -178.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -122.26 -161.67 0.95 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.14 29.33 73.31 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.134 -0.555 . . . . 0.0 112.325 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -125.0 79.56 0.36 Allowed Glycine 0 N--CA 1.45 -0.413 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.1 tp 72.14 4.09 4.9 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.697 0.761 . . . . 0.0 110.093 -176.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.516 HG23 ' HD2' ' A' ' 70' ' ' ARG . 17.9 p -93.68 123.22 36.86 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.499 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 27.9 p -133.62 -87.84 0.41 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.381 0.61 . . . . 0.0 110.433 -178.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -146.2 13.65 1.27 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.395 176.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -154.35 91.48 1.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.191 -176.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.516 ' HD2' HG23 ' A' ' 66' ' ' THR . 78.7 ttt180 -127.05 -48.91 1.46 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.647 175.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -80.39 82.13 6.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.459 177.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 55.9 ttt180 -132.59 15.46 4.43 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.466 -177.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.0 tt -78.81 107.15 11.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.899 -176.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -101.67 147.79 26.02 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.079 176.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 63.04 86.63 0.14 Allowed Pre-proline 0 CA--C 1.53 0.193 0 O-C-N 123.954 0.784 . . . . 0.0 110.692 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -83.05 116.34 2.43 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.917 2.411 . . . . 0.0 113.217 -175.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -104.79 120.52 41.58 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 174.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -72.53 -40.98 66.33 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -169.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.76 110.06 2.68 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.237 0.542 . . . . 0.0 110.59 -178.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -74.54 94.94 2.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.563 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -92.56 95.78 9.81 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 177.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -84.17 89.05 7.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.028 -176.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.8 mp 47.67 -103.39 0.1 Allowed 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.877 0.735 . . . . 0.0 110.529 -177.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -106.37 -59.19 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 172.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.422 ' C ' ' H ' ' A' ' 87' ' ' ASN . 40.9 ttt85 -178.58 161.94 1.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.09 -0.959 . . . . 0.0 108.435 176.525 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.7 m -76.74 11.48 1.68 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 120.729 0.3 . . . . 0.0 110.814 176.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.422 ' H ' ' C ' ' A' ' 85' ' ' ARG . 86.6 m-20 64.32 -89.32 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.33 0.652 . . . . 0.0 111.465 -178.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -125.14 -166.25 1.51 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 -177.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 27.7 pt -136.31 179.72 3.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.785 0.326 . . . . 0.0 110.828 -177.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.708 ' H ' HD21 ' A' ' 90' ' ' LEU . 1.6 pt? -69.33 111.86 5.5 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 173.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -86.97 104.47 16.32 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.38 -173.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 40.8 mt -78.84 89.72 4.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.017 175.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 71.63 154.68 0.14 Allowed 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.994 0.809 . . . . 0.0 110.445 -171.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.7 m -79.4 90.13 5.02 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.692 -176.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 71.01 -54.5 0.66 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.977 175.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 57.81 -143.83 0.65 Allowed 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -177.263 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -99.67 12.69 35.91 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.402 0.62 . . . . 0.0 110.057 176.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.08 -28.34 61.34 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.719 174.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -68.39 151.46 46.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.945 175.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.16 -42.19 21.24 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.785 -177.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -153.5 177.02 11.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.409 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.571 ' HD2' ' HA ' ' A' ' 105' ' ' LEU . 31.8 t80 -99.8 132.28 45.24 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 175.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.432 ' C ' ' H ' ' A' ' 105' ' ' LEU . 32.7 t70 -61.67 102.17 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 O-C-N 123.27 0.356 . . . . 0.0 111.771 -175.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 104' ' ' ARG . 46.2 ttm180 72.0 -38.38 0.42 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.834 0.854 . . . . 0.0 112.262 177.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.571 ' HA ' ' HD2' ' A' ' 102' ' ' PHE . 57.7 tp 74.67 -78.7 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 123.5 0.72 . . . . 0.0 110.147 -177.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 61.1 t-105 47.77 67.6 0.8 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.484 0.659 . . . . 0.0 110.005 -179.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -107.11 -31.41 8.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.053 -171.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 21.8 tptm . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.505 -0.759 . . . . 0.0 110.27 -179.352 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.0 ptp . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 p -78.67 139.6 38.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.16 0.505 . . . . 0.0 111.218 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -97.61 23.36 7.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.317 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -78.62 63.49 3.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.78 -174.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.2 p -104.18 33.32 3.53 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.543 0.687 . . . . 0.0 109.166 172.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 6' ' ' ARG . 50.0 mtt180 -95.52 -178.56 4.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.333 -175.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -109.36 159.06 17.3 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 174.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.427 ' HB2' HG21 ' A' ' 11' ' ' VAL . 15.8 m -58.36 143.93 79.01 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 110.399 -0.222 . . . . 0.0 110.399 177.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -56.25 -29.28 75.43 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.769 2.313 . . . . 0.0 111.893 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 14' ' ' ARG . 28.1 mt-10 -66.28 -29.84 70.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.427 HG21 ' HB2' ' A' ' 8' ' ' SER . 87.9 t -61.34 -51.6 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.185 -176.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.0 mtm-85 -66.86 -33.54 75.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.952 0.406 . . . . 0.0 110.702 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.6 tm0? -66.13 -52.9 44.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.803 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 95.3 mtt180 -69.08 -28.27 66.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.777 -178.24 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.518 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -61.31 -55.13 35.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.861 178.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.77 -36.19 74.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.374 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.5 mmm-85 -56.31 -52.62 63.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.792 174.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.401 ' HE1' ' HB2' ' A' ' 18' ' ' MET . 40.8 ttm -61.71 -36.55 81.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.364 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 15' ' ' ALA . 70.1 t -61.2 -47.78 91.97 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.295 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.839 176.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.14 -43.8 98.03 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.727 0.299 . . . . 0.0 111.238 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.47 -42.87 97.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.04 0.448 . . . . 0.0 110.854 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.514 ' HB2' HG23 ' A' ' 32' ' ' THR . 48.2 m -78.87 -21.19 47.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -68.65 -31.61 70.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.054 0.454 . . . . 0.0 110.314 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.41 -16.15 73.37 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.254 175.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -100.95 -47.35 4.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.939 0.399 . . . . 0.0 110.422 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -85.9 119.62 26.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.477 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.46 -54.29 42.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.244 178.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.429 ' HB3' ' HE3' ' A' ' 30' ' ' TRP . 19.5 m -88.86 127.44 35.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.46 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.419 ' O ' HG13 ' A' ' 33' ' ' ILE . 32.2 tt0 -58.76 -31.26 68.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.221 -178.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.429 ' HE3' ' HB3' ' A' ' 28' ' ' SER . 25.3 m-90 -62.45 -38.56 90.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.14 -34.98 79.29 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.084 0.469 . . . . 0.0 109.94 177.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.514 HG23 ' HB2' ' A' ' 22' ' ' SER . 22.5 m -62.84 -47.61 82.63 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.211 174.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.544 HG22 HD21 ' A' ' 47' ' ' LEU . 70.1 mt -60.82 -49.69 83.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.146 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 86.3 m -65.27 -16.89 64.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.796 -178.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.5 t -87.51 -43.62 11.89 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.894 0.378 . . . . 0.0 110.57 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -88.92 -26.75 5.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -171.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.506 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -55.25 -56.2 31.22 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -178.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.506 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 69.2 Cg_endo -74.87 -14.18 21.54 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 121.593 1.529 . . . . 0.0 111.844 178.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -72.48 -49.41 33.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.689 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.4 mt -83.1 -38.34 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.491 177.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.61 39.84 1.84 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.386 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.1 p -127.31 158.36 37.42 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 33.3 p -75.09 132.72 76.36 Favored Pre-proline 0 C--N 1.32 -0.692 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.372 177.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -51.94 -34.48 56.51 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.495 2.797 . . . . 0.0 112.645 -178.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.447 ' O ' HG23 ' A' ' 49' ' ' VAL . 4.6 mp0 -64.92 -39.35 93.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.96 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.0 m -76.31 -35.21 58.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.015 0.436 . . . . 0.0 110.216 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.544 HD21 HG22 ' A' ' 33' ' ' ILE . 48.9 tp -62.98 -39.85 95.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.075 177.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -56.68 -40.39 75.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.299 175.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.53 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 97.5 t -62.59 -51.0 77.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.257 -178.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 30.5 m0 -59.05 -37.33 76.76 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 120.688 0.28 . . . . 0.0 111.197 -177.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.5 t -64.95 -50.0 77.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.107 176.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -62.23 -30.62 71.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.476 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 17.5 mm100 -68.49 -36.48 78.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.69 0.281 . . . . 0.0 110.83 177.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -83.01 -9.91 59.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.124 0.488 . . . . 0.0 110.806 178.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -94.4 -49.96 5.45 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.719 178.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.676 ' HD2' ' HA2' ' A' ' 63' ' ' GLY . 60.6 ttp85 -91.05 -40.71 11.48 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -173.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.502 ' HB3' ' O ' ' A' ' 53' ' ' GLN . 32.9 t70 -76.95 -36.36 56.59 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.248 -175.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 34.9 m -72.96 -41.77 64.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.417 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -163.12 60.51 0.27 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.235 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.469 ' HA3' ' HA ' ' A' ' 56' ' ' ARG . . . -121.91 122.6 5.16 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 121.127 -0.558 . . . . 0.0 112.256 -179.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -73.3 -35.64 66.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.067 0.461 . . . . 0.0 110.316 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -99.85 146.87 26.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.698 -178.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.676 ' HA2' ' HD2' ' A' ' 56' ' ' ARG . . . -119.5 31.01 5.56 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.206 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.89 149.97 25.26 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.087 179.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.6 mt -82.01 84.87 6.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.053 0.454 . . . . 0.0 110.508 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.2 t -90.61 163.41 14.57 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.418 -179.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.4 t -134.02 17.14 3.82 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.598 0.713 . . . . 0.0 109.983 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.43 161.73 41.93 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.852 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -74.29 139.88 44.53 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 176.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.527 ' HD3' ' H ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -78.15 63.44 3.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.625 0.726 . . . . 0.0 111.1 -176.353 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -175.64 89.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.033 176.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -74.36 104.76 5.23 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.0 0.428 . . . . 0.0 110.783 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 37.7 tp -94.44 -18.7 21.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.138 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.418 ' O ' ' HD3' ' A' ' 74' ' ' LYS . 1.1 tmtp? -73.87 84.06 1.69 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.433 0.635 . . . . 0.0 110.118 177.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -158.69 82.77 2.62 Favored Pre-proline 0 C--N 1.321 -0.671 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 176.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -85.49 12.43 3.06 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 123.423 2.749 . . . . 0.0 113.056 -171.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -147.18 151.91 37.53 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.043 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.74 -2.27 0.3 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.865 0.364 . . . . 0.0 111.341 -176.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -108.76 5.35 24.62 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.998 -175.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -100.1 32.65 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.086 0.47 . . . . 0.0 110.623 -176.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -81.01 75.11 8.0 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -77.07 84.82 3.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.835 0.826 . . . . 0.0 111.787 -174.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 98.9 mt -132.78 -61.02 0.86 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.68 -1.145 . . . . 0.0 108.643 174.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.409 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 7.9 ptp85 -93.21 101.09 13.36 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 169.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -72.18 133.44 45.13 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.077 0.465 . . . . 0.0 110.931 -175.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.5 m -112.64 19.06 17.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.665 0.745 . . . . 0.0 109.472 178.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.508 ' O ' ' HD3' ' A' ' 91' ' ' ARG . 82.5 m-20 -86.04 -15.39 41.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.761 -176.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -118.14 -42.7 2.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.803 -176.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 15.8 pt -72.28 94.85 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.39 0.614 . . . . 0.0 111.33 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.2 mp 63.15 75.89 0.38 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.326 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.508 ' HD3' ' O ' ' A' ' 87' ' ' ASN . 35.0 ttp-105 -106.96 138.39 43.21 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.804 177.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.4 mp -69.97 145.51 51.79 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 176.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.22 94.14 4.08 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.782 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.9 p -86.8 91.45 8.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.309 0.576 . . . . 0.0 110.313 177.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -137.98 71.41 1.4 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.573 -177.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -168.7 -61.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.411 177.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 56.17 83.28 0.1 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.545 -177.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.78 141.0 58.17 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.385 -173.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.409 ' N ' ' HD2' ' A' ' 99' ' ' LYS . 0.7 OUTLIER -90.62 -0.01 57.53 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.211 179.333 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.95 -19.16 65.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.845 178.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -62.57 -35.92 81.03 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.422 175.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -87.34 102.16 14.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.073 176.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -84.25 129.27 34.9 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.432 0.634 . . . . 0.0 110.758 -174.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.83 ' HB2' ' HB2' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -127.58 114.34 17.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.183 177.813 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 26.4 tp -104.43 -47.65 4.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.231 -170.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -107.96 102.63 11.8 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -171.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.2 tttp 63.07 30.97 16.15 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.068 169.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.83 ' HB2' ' HB2' ' A' ' 104' ' ' ARG . 24.8 mtpp . . . . . 0 C--O 1.241 0.634 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.286 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 . . . . . 0 C--O 1.233 0.196 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 88.0 t -63.25 -39.77 86.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.983 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -63.15 -49.74 73.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.69 0.281 . . . . 0.0 110.734 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -63.52 -42.17 98.47 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.837 0.351 . . . . 0.0 110.634 -178.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.411 ' HD2' HH11 ' A' ' 14' ' ' ARG . 1.1 tmt_? -65.33 -37.07 85.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.108 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -60.92 -54.24 47.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.698 177.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.89 -35.45 60.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.586 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.7 ttt-85 -63.15 -49.19 75.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.246 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 51.3 ttm -61.39 -32.36 72.28 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.911 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 15' ' ' ALA . 84.1 t -61.29 -47.67 92.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.101 175.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.73 -43.11 94.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.388 178.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -53.32 -42.02 66.27 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.387 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.534 ' HB2' HG23 ' A' ' 32' ' ' THR . 15.9 m -85.04 -14.88 45.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.708 -177.2 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 19' ' ' VAL . 56.3 mt-30 -72.82 -25.74 61.24 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.995 0.426 . . . . 0.0 110.391 174.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.89 -37.17 94.46 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.365 171.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -82.4 -52.97 6.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.959 0.409 . . . . 0.0 110.737 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -106.67 123.73 48.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.337 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -86.77 -12.08 49.14 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.175 0.512 . . . . 0.0 110.257 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.9 m -85.94 106.97 17.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.887 175.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -56.27 -41.84 76.48 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.83 -171.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 6.6 m0 -63.01 -42.48 99.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.995 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.53 -40.56 87.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.175 0.512 . . . . 0.0 110.454 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.534 HG23 ' HB2' ' A' ' 22' ' ' SER . 19.8 m -63.92 -57.87 8.46 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.981 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.44 HG23 HD23 ' A' ' 47' ' ' LEU . 74.7 mt -63.28 -45.0 99.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.034 -173.585 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.1 t -64.85 -23.95 67.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.903 -174.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.0 m -89.86 -27.34 19.98 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.698 0.258 . . . . 0.0 111.698 -176.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.8 mt -85.4 -35.34 9.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.645 0.259 . . . . 0.0 111.601 -175.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.532 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -49.91 -52.35 52.95 Favored Pre-proline 0 CA--C 1.543 0.699 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -175.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.532 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.7 Cg_exo -66.7 -11.54 32.32 Favored 'Trans proline' 0 C--N 1.359 1.129 0 C-N-CA 122.428 2.085 . . . . 0.0 113.245 -176.448 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -85.9 -39.12 17.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.105 0.478 . . . . 0.0 110.737 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 62.8 mt -85.64 -29.77 6.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.583 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.11 47.64 1.22 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.796 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.435 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 14.7 p -145.99 172.9 12.7 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.3 p -92.62 148.65 36.61 Favored Pre-proline 0 C--N 1.321 -0.635 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.472 176.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.5 -31.99 95.5 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.49 2.127 . . . . 0.0 111.532 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.509 ' O ' HG23 ' A' ' 49' ' ' VAL . 30.1 mt-10 -63.5 -45.61 89.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.637 178.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.8 m -71.92 -39.35 69.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.619 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.44 HD23 HG23 ' A' ' 33' ' ' ILE . 44.2 tp -62.24 -37.81 86.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.304 178.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -61.55 -41.94 98.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.511 176.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 45' ' ' GLU . 95.4 t -62.06 -42.0 93.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.775 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 42.5 m0 -60.62 -43.64 97.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.095 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 47' ' ' LEU . 62.1 t -64.47 -42.37 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.475 178.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -65.46 -39.83 92.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.673 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -67.89 -38.06 82.53 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -68.23 -19.35 64.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.56 178.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 . . . . . 0 C--N 1.324 -0.508 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 173.101 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 . . . . . 0 C--O 1.233 0.197 0 N-CA-C 111.565 0.209 . . . . 0.0 111.565 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 81.8 t -58.72 -34.89 53.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 121.325 0.584 . . . . 0.0 110.047 176.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.486 ' O ' HG23 ' A' ' 16' ' ' VAL . 45.7 ttp180 -61.76 -49.3 76.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.39 178.35 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -61.4 -41.74 97.61 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.568 178.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' A' ' 18' ' ' MET . 26.0 ttt-85 -59.6 -43.0 93.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.311 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.458 ' HB1' HD13 ' A' ' 40' ' ' ILE . . . -61.51 -42.84 99.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.962 178.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.552 HG22 ' HB3' ' A' ' 50' ' ' TRP . 59.8 t -62.25 -44.13 98.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.736 178.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -62.61 -37.44 86.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.739 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.493 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 96.0 mmm -56.59 -46.95 80.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.884 0.373 . . . . 0.0 110.331 177.412 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.506 ' HA ' HG13 ' A' ' 36' ' ' ILE . 47.4 t -63.07 -48.92 85.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.397 178.289 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.5 mt -59.82 -45.23 93.04 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.893 -177.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -63.03 -41.3 99.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.18 -177.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.0 m -78.09 -27.2 48.43 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.973 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -62.55 -40.59 97.32 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.936 0.398 . . . . 0.0 110.806 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.03 -6.68 89.04 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.732 178.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -92.88 -43.0 9.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.008 0.433 . . . . 0.0 109.834 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -92.03 178.42 5.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.968 176.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -98.9 -45.43 5.98 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.074 0.464 . . . . 0.0 109.939 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.9 m -83.27 120.27 25.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.532 -176.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -67.23 -45.71 75.94 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.873 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -57.9 -50.0 74.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.181 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.22 -43.18 74.25 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.035 177.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.478 ' O ' HG12 ' A' ' 36' ' ' ILE . 73.8 m -59.86 -52.57 64.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.448 177.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.593 HG23 ' HB2' ' A' ' 47' ' ' LEU . 73.2 mt -54.26 -45.03 67.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.276 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.5 t -73.21 -16.86 61.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.609 -176.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.9 m -95.49 -21.5 18.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.776 0.322 . . . . 0.0 111.505 -178.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.506 HG13 ' HA ' ' A' ' 19' ' ' VAL . 47.0 mm -86.19 -27.97 6.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.089 0.471 . . . . 0.0 110.049 177.298 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.559 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -51.96 -51.95 66.22 Favored Pre-proline 0 CA--C 1.539 0.525 0 CA-C-N 115.439 -0.801 . . . . 0.0 112.697 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.559 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 12.9 Cg_exo -70.23 -21.89 30.69 Favored 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 122.136 1.89 . . . . 0.0 112.525 -178.475 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -74.89 -33.58 62.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.949 0.404 . . . . 0.0 110.414 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.51 HD12 HD11 ' A' ' 47' ' ' LEU . 62.9 mt -86.8 -43.62 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.311 177.569 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.92 47.83 0.99 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.804 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.457 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 17.0 p -152.33 170.35 20.28 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -178.58 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.7 p -76.39 148.18 80.11 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.627 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.585 ' HA ' HD23 ' A' ' 47' ' ' LEU . 40.7 Cg_exo -57.58 -24.47 62.26 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.603 2.202 . . . . 0.0 111.983 177.109 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -60.27 -38.68 84.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.194 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.5 m -66.96 -37.6 84.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.898 -178.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.593 ' HB2' HG23 ' A' ' 33' ' ' ILE . 3.4 mm? -63.37 -38.36 90.86 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.48 178.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.465 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 78.8 mtt180 -57.44 -45.68 84.43 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 177.255 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 64.2 t -65.25 -44.78 95.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.355 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.552 ' HB3' HG22 ' A' ' 16' ' ' VAL . 26.8 m0 -61.28 -46.77 88.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.579 -178.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 88.7 t -64.56 -44.19 96.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.845 0.355 . . . . 0.0 110.231 178.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.465 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 5.6 tpt180 -58.57 -52.18 66.74 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.425 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -62.86 -38.18 89.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.093 -177.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -63.41 -38.16 90.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.993 178.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 C--N 1.325 -0.477 0 CA-C-O 120.788 0.328 . . . . 0.0 111.432 -179.096 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 . . . . . 0 C--O 1.227 -0.117 0 CA-C-O 120.58 0.229 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.19 -43.93 99.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.527 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.477 ' O ' HG23 ' A' ' 16' ' ' VAL . 61.5 ttp180 -61.06 -46.29 91.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.469 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -65.53 -41.12 93.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.128 0.489 . . . . 0.0 110.156 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -59.88 -43.19 94.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.007 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.509 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -60.76 -46.5 90.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.163 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 12' ' ' ARG . 85.6 t -56.76 -48.04 81.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.797 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -66.71 -41.3 88.19 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.667 177.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 48.2 ttm -56.95 -38.61 73.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.857 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 15' ' ' ALA . 97.8 t -61.94 -53.11 52.32 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.516 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.572 176.233 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 92.3 mt -62.18 -43.6 98.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.109 0.481 . . . . 0.0 111.154 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -61.71 -36.97 82.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.694 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.5 m -85.93 -23.73 26.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.702 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -59.22 -41.59 89.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.869 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.12 -33.57 80.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.368 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -83.48 -42.05 17.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.716 0.293 . . . . 0.0 111.25 -178.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -66.2 162.83 19.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.742 0.782 . . . . 0.0 112.472 -176.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.78 -40.0 61.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.831 178.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 p -143.29 163.53 32.74 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.925 0.393 . . . . 0.0 111.901 -173.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -59.49 -52.62 64.81 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.94 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -63.1 -36.89 85.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 -175.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.17 -25.44 67.77 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.998 0.428 . . . . 0.0 111.009 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.4 m -80.94 -44.76 17.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.61 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 76.6 mt -66.49 -47.32 84.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.837 -176.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.8 p -69.88 -18.25 63.4 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -172.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.4 p -93.62 -33.22 13.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.735 0.302 . . . . 0.0 111.562 -178.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.2 mt -83.47 -35.48 11.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.679 -177.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.436 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -52.54 -53.98 47.64 Favored Pre-proline 0 CA--C 1.54 0.59 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -175.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 33.8 Cg_endo -63.48 -22.56 71.07 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.952 1.768 . . . . 0.0 112.129 -179.038 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -78.7 -20.74 49.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.202 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.8 mt -82.11 -40.23 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.371 0.605 . . . . 0.0 109.769 175.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.15 -9.98 8.85 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.439 -0.8 . . . . 0.0 112.131 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 22.7 p -106.49 -177.57 3.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.767 0.318 . . . . 0.0 110.636 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.1 p -91.08 162.54 32.28 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.923 178.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.477 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 51.0 Cg_exo -55.94 -32.54 86.01 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.796 2.33 . . . . 0.0 112.331 179.256 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -50.04 -51.46 42.12 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.991 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.2 m -61.2 -42.98 99.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.131 -178.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.418 ' O ' HG23 ' A' ' 51' ' ' VAL . 32.9 tp -69.03 -36.85 78.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -176.494 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 44' ' ' PRO . 32.1 mtp-105 -55.2 -41.72 72.34 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.932 0.396 . . . . 0.0 110.588 176.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.8 t -65.79 -48.43 82.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.888 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 50.7 m0 -57.51 -47.27 82.4 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.159 -177.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 47' ' ' LEU . 63.6 t -63.42 -47.13 93.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.02 -179.291 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -65.11 -37.98 89.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.789 -177.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -57.96 -50.57 72.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.022 0.439 . . . . 0.0 110.579 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -66.77 -34.03 76.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.102 -178.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.84 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 . . . . . 0 N--CA 1.464 0.244 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.4 t -60.75 -37.52 76.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.272 176.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.5 mtm180 -69.58 -39.58 77.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.21 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -59.92 -42.75 94.63 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.16 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -58.33 -49.0 78.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.464 175.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.571 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -55.97 -53.73 53.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.391 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.409 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 74.7 t -59.48 -48.59 86.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.324 -178.421 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.3 mtm180 -65.63 -35.21 80.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.179 -178.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 35.1 ttp -68.53 -32.03 71.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.872 0.368 . . . . 0.0 110.577 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 15' ' ' ALA . 94.4 t -66.85 -43.48 89.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 173.517 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 87.9 mt -62.51 -44.35 96.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.636 178.379 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -54.79 -45.22 74.3 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.125 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.5 p -84.12 -26.6 28.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.486 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -64.61 -28.22 69.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.919 0.39 . . . . 0.0 110.586 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.75 1.82 61.2 Favored Glycine 0 CA--C 1.522 0.484 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.349 176.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -119.23 -32.04 4.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.273 0.559 . . . . 0.0 110.183 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -86.62 -170.65 3.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.495 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -114.01 -58.27 2.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.557 177.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.4 m -94.24 135.84 35.19 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.155 -176.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -67.5 -33.04 74.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.208 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.443 ' HH2' ' HD2' ' A' ' 48' ' ' ARG . 72.3 m95 -71.95 -22.37 61.47 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.348 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.66 -32.2 72.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.469 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.3 p -84.25 -43.01 15.3 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.876 177.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.518 ' HA ' HD23 ' A' ' 47' ' ' LEU . 83.1 mt -57.63 -50.63 76.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.495 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.519 ' HA ' ' HB3' ' A' ' 44' ' ' PRO . 67.8 m -72.74 -12.19 60.91 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -175.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.9 t -98.48 -42.89 7.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.743 0.306 . . . . 0.0 110.946 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.5 mt -73.6 -38.72 52.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -174.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.586 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -56.35 -52.61 71.78 Favored Pre-proline 0 CA--C 1.538 0.519 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -177.398 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.586 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 17.5 Cg_exo -67.85 -19.97 46.07 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 121.856 1.704 . . . . 0.0 112.227 178.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -76.17 -35.76 59.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.676 177.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 72.6 mt -74.74 -52.85 18.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.176 175.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.94 42.94 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.469 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.3 p -153.64 172.91 16.5 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.1 p -87.44 150.0 47.94 Favored Pre-proline 0 C--N 1.319 -0.753 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 177.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.519 ' HB3' ' HA ' ' A' ' 34' ' ' CYS . 7.9 Cg_endo -49.91 -36.59 44.01 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.687 2.925 . . . . 0.0 114.807 -171.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -68.92 -27.77 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.091 -174.611 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.2 m -70.63 -35.8 73.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.135 0.493 . . . . 0.0 110.299 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' A' ' 33' ' ' ILE . 51.7 tp -64.55 -36.95 85.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.132 177.342 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.443 ' HD2' ' HH2' ' A' ' 30' ' ' TRP . 68.8 ttt180 -60.45 -40.7 92.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.43 176.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 45' ' ' GLU . 57.4 t -59.62 -40.96 83.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.639 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 53.2 m0 -66.6 -42.8 86.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.812 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.423 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 99.0 t -61.85 -44.37 98.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 176.538 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -54.45 -39.19 67.18 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.2 177.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -61.84 -47.07 86.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.556 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -68.72 -27.45 65.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -177.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 51' ' ' VAL . 50.7 mt-10 . . . . . 0 C--N 1.329 -0.31 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 174.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 14' ' ' ARG . 18.7 tp10 . . . . . 0 C--O 1.224 -0.258 0 CA-C-O 120.704 0.288 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.64 -42.13 94.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.394 0.616 . . . . 0.0 110.251 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.492 ' NH2' ' HG2' ' A' ' 53' ' ' GLN . 38.7 ttt180 -61.15 -44.4 97.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.917 177.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -66.14 -41.39 90.51 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.065 177.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 96.0 mtt180 -56.59 -41.92 77.83 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.092 0.245 . . . . 0.0 110.871 177.502 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.402 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -56.95 -55.66 31.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.761 178.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.443 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 43.5 t -63.62 -39.79 86.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.782 179.357 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -59.08 -49.27 78.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.262 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 67.1 mtt -61.41 -42.34 98.57 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 120.812 0.339 . . . . 0.0 110.509 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 23' ' ' GLN . 73.7 t -61.0 -46.36 96.79 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.267 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.776 178.544 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 85.8 mt -62.78 -45.56 92.09 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.597 0.236 . . . . 0.0 111.148 -179.393 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -62.77 -42.32 99.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.825 0.345 . . . . 0.0 110.463 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.44 ' O ' ' HB3' ' A' ' 25' ' ' GLU . 17.2 m -76.08 -14.91 60.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.629 179.273 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.567 ' OE1' ' HA ' ' A' ' 29' ' ' GLN . 10.3 tp60 -83.32 -15.17 51.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.312 0.577 . . . . 0.0 109.568 177.085 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.54 -6.8 89.11 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 167.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' A' ' 22' ' ' SER . 4.9 tp10 -99.0 -51.43 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.088 -0.556 . . . . 0.0 109.749 178.461 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -99.58 -176.25 3.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.959 -178.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -116.44 -32.27 5.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.814 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.9 m -87.96 133.03 34.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.984 -177.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.567 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 8.8 tt0 -70.82 -51.01 29.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.881 -173.424 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.474 ' HD1' ' HD2' ' A' ' 48' ' ' ARG . 27.6 t90 -69.05 -25.76 64.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.605 0.24 . . . . 0.0 110.864 -174.015 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.73 -34.86 71.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.406 0.622 . . . . 0.0 110.298 176.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.429 ' CG2' ' HB2' ' A' ' 22' ' ' SER . 9.9 m -77.73 -40.38 41.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.107 177.117 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.636 HG23 ' HB3' ' A' ' 47' ' ' LEU . 50.5 mm -57.93 -49.58 80.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.492 -178.157 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.1 p -73.64 -5.77 42.51 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -175.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.9 m -98.34 -40.94 8.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.991 0.424 . . . . 0.0 110.808 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.0 mm -83.89 -41.93 16.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.725 -175.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.457 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -53.55 -52.91 62.6 Favored Pre-proline 0 CA--C 1.539 0.555 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -176.478 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.457 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 37.7 Cg_endo -65.66 -22.61 57.56 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.151 1.901 . . . . 0.0 112.866 -178.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -73.5 -42.3 62.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.834 0.35 . . . . 0.0 110.201 178.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.3 mt -72.03 -34.29 50.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.353 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 112.71 37.79 1.38 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.341 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.3 p -140.16 169.93 16.77 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.408 ' HB ' ' OE2' ' A' ' 45' ' ' GLU . 21.7 p -96.98 151.51 37.78 Favored Pre-proline 0 C--N 1.321 -0.632 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.234 178.329 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -53.28 -29.16 45.96 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.796 2.997 . . . . 0.0 114.368 -175.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.482 ' O ' HG23 ' A' ' 49' ' ' VAL . 2.4 mp0 -53.3 -54.99 28.36 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.224 0.535 . . . . 0.0 110.566 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.7 m -67.94 -33.39 74.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.287 -175.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.636 ' HB3' HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -61.44 -44.5 97.01 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.474 ' HD2' ' HD1' ' A' ' 30' ' ' TRP . 15.3 mtp180 -65.09 -32.16 73.73 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.327 178.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 45' ' ' GLU . 95.3 t -64.09 -40.96 90.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.455 178.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 34.7 m0 -65.99 -39.94 90.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.955 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 47' ' ' LEU . 60.0 t -64.12 -47.65 89.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.534 178.617 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.442 ' O ' ' HB3' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -63.85 -29.68 70.85 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.778 178.2 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.492 ' HG2' ' NH2' ' A' ' 12' ' ' ARG . 6.8 tp-100 -66.59 -50.9 61.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.186 177.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -67.43 -26.31 66.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.325 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.442 ' HB3' ' O ' ' A' ' 52' ' ' ARG . 32.8 tt0 . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.818 177.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 . . . . . 0 C--O 1.236 0.387 0 CA-C-O 121.027 0.442 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.5 t -70.51 -44.68 76.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.731 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.404 ' O ' HG23 ' A' ' 16' ' ' VAL . 4.5 ttp180 -62.73 -43.53 98.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.007 -175.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.481 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 72.1 mm-40 -62.8 -50.51 70.73 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.377 177.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.5 ttm-85 -56.81 -46.61 81.52 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.683 0.277 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -58.55 -58.17 9.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.471 -178.139 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.506 HG11 ' CB ' ' A' ' 54' ' ' HIS . 55.5 t -63.17 -43.13 98.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.765 -174.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 13' ' ' GLN . 56.3 mtp180 -64.9 -31.71 73.07 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.737 -178.096 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 47.1 ttp -72.14 -38.5 69.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.973 175.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 15' ' ' ALA . 84.5 t -63.1 -45.08 99.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.271 175.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 97.3 mt -63.18 -36.33 83.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.072 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -56.41 -58.2 9.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.816 177.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.5 m -79.73 -8.97 59.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.343 -177.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -68.15 -37.44 81.03 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 173.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.1 -26.73 73.24 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.661 175.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -70.78 -49.53 45.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.996 0.427 . . . . 0.0 110.591 177.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -85.71 165.47 16.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.274 0.559 . . . . 0.0 111.896 -177.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -82.64 -55.34 4.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.641 176.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.8 m -97.53 133.18 42.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.808 -176.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -60.87 -43.9 97.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.773 -175.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 52.2 p-90 -59.3 -28.43 66.77 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.334 -176.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.04 -31.31 70.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.944 0.402 . . . . 0.0 110.811 -178.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.8 m -80.42 -44.35 19.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.319 0.58 . . . . 0.0 110.501 177.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.65 HG23 HD23 ' A' ' 47' ' ' LEU . 70.8 mt -60.86 -45.85 97.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.357 -0.838 . . . . 0.0 112.14 -175.273 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.7 p -69.99 -9.55 55.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 111.75 -177.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.8 t -98.38 -13.18 20.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.995 0.426 . . . . 0.0 110.819 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.7 mt -108.62 -35.95 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 122.243 -0.285 . . . . 0.0 111.541 -176.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.72 -53.21 56.77 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 112.667 0.618 . . . . 0.0 112.667 -177.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.26 -12.67 30.24 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 121.872 1.715 . . . . 0.0 112.66 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -82.99 -36.64 24.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.524 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 68.0 mt -83.76 -52.13 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.499 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.46 47.1 0.11 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.956 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.3 p -146.9 171.65 14.89 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.0 p -87.75 158.84 50.3 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.527 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 51.6 Cg_exo -54.01 -34.51 77.52 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.487 2.125 . . . . 0.0 111.322 175.027 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.478 ' O ' HG23 ' A' ' 49' ' ' VAL . 32.4 tt0 -65.74 -52.02 54.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.473 177.092 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.9 m -56.44 -42.13 77.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.527 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.65 HD23 HG23 ' A' ' 33' ' ' ILE . 26.9 tp -68.67 -37.1 79.34 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.708 -179.4 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.633 ' HG2' HD13 ' A' ' 33' ' ' ILE . 10.7 mtp180 -61.17 -40.59 94.48 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.758 0.313 . . . . 0.0 110.251 175.083 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 45' ' ' GLU . 84.5 t -60.45 -44.16 95.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.724 178.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 42.9 m0 -63.31 -43.14 98.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.57 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 47' ' ' LEU . 58.0 t -63.74 -46.21 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.859 0.362 . . . . 0.0 110.227 177.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -60.55 -39.06 86.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.331 178.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -68.27 -33.89 75.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.179 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.506 ' CB ' HG11 ' A' ' 16' ' ' VAL . 11.0 t-80 -63.91 -43.2 96.64 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 C--N 1.325 -0.484 0 CA-C-O 121.377 0.608 . . . . 0.0 110.102 175.572 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 . . . . . 0 N--CA 1.456 -0.155 0 CA-C-O 120.368 0.128 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.2 t -65.99 -42.5 91.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.971 0.415 . . . . 0.0 110.051 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.547 ' O ' HG23 ' A' ' 16' ' ' VAL . 46.8 mtp180 -62.4 -39.68 94.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.038 176.024 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -67.53 -39.09 85.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.914 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -56.42 -43.26 79.2 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.436 175.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.487 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -60.76 -53.74 53.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.565 176.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.582 ' HA ' HG22 ' A' ' 51' ' ' VAL . 60.8 t -55.68 -51.21 61.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.157 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 17' ' ' ARG . 26.4 ttt180 -59.66 -53.37 58.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.257 -178.296 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 30.5 ttp -60.91 -32.39 71.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.162 -173.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.504 ' O ' ' HB2' ' A' ' 23' ' ' GLN . 74.1 t -65.47 -49.54 77.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 121.136 -0.226 . . . . 0.0 110.685 176.239 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.6 mt -68.65 -41.81 78.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.286 0.565 . . . . 0.0 110.737 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -59.01 -46.17 88.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.466 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.5 m -80.47 -12.16 59.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.59 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.504 ' HB2' ' O ' ' A' ' 19' ' ' VAL . 42.5 tt0 -78.67 -15.76 58.1 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 176.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.1 -24.91 73.39 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.311 -0.947 . . . . 0.0 110.922 167.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -93.31 -47.79 6.74 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -91.75 121.96 33.87 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.576 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -69.54 -31.6 69.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.016 -178.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.4 m -101.12 117.68 35.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.884 0.373 . . . . 0.0 110.494 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -61.55 -38.1 86.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.229 -175.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 41.8 p-90 -62.06 -30.45 70.99 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.688 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.47 -34.29 72.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.097 0.475 . . . . 0.0 110.168 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.8 m -69.21 -43.44 74.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.044 177.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.681 HG23 HD23 ' A' ' 47' ' ' LEU . 76.7 mt -60.7 -45.68 97.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.047 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 83.7 m -65.53 -25.4 67.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.862 -176.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.0 p -92.87 -25.89 17.88 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -177.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.411 ' O ' ' HB2' ' A' ' 39' ' ' LYS . 59.3 mt -89.66 -28.53 5.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.563 -178.198 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.442 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -52.74 -51.97 68.81 Favored Pre-proline 0 CA--C 1.541 0.616 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.442 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 51.3 Cg_endo -69.14 -8.04 22.52 Favored 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 122.067 1.844 . . . . 0.0 112.881 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 36' ' ' ILE . 72.1 mmtt -84.4 -36.78 22.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.263 0.554 . . . . 0.0 109.946 175.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 65.4 mt -79.34 -39.89 21.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.118 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.26 39.43 5.1 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -177.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 79.1 m -145.95 176.45 9.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.57 -0.315 . . . . 0.0 110.216 -178.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.673 ' HB ' ' HG2' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -74.66 135.99 74.58 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.574 -179.5 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 43' ' ' THR . 36.2 Cg_exo -57.19 -35.69 98.95 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.957 2.438 . . . . 0.0 112.056 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.673 ' HG2' ' HB ' ' A' ' 43' ' ' THR . 14.4 pt-20 -57.37 -42.88 82.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.037 177.105 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 m -67.68 -36.28 80.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.078 0.466 . . . . 0.0 110.502 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.681 HD23 HG23 ' A' ' 33' ' ' ILE . 52.3 tp -59.34 -44.24 92.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.457 177.146 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.0 ttt85 -65.64 -34.89 79.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.684 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 45' ' ' GLU . 87.2 t -62.58 -45.16 99.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.817 177.557 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.5 ' CE3' ' HA ' ' A' ' 47' ' ' LEU . 19.1 m0 -57.27 -47.9 80.25 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.734 0.302 . . . . 0.0 111.059 179.278 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.582 HG22 ' HA ' ' A' ' 16' ' ' VAL . 57.9 t -60.51 -47.68 91.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.528 179.146 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 52' ' ' ARG . 46.0 ttt180 -61.45 -48.34 81.58 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.666 -177.357 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -65.09 -33.87 77.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.738 -178.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 37.7 t60 -68.88 -27.93 66.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.336 179.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.561 ' HG3' ' O ' ' A' ' 51' ' ' VAL . 50.0 mt-10 . . . . . 0 C--O 1.233 0.216 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 174.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 . . . . . 0 CA--C 1.527 0.081 0 CA-C-O 120.709 0.29 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.2 t -69.05 -47.03 77.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.508 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -64.56 -43.71 93.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -62.44 -44.14 97.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.265 178.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 14' ' ' ARG . 34.6 ttt180 -60.46 -41.63 94.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.665 179.314 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.545 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -59.93 -56.79 17.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.899 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.416 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 62.8 t -58.85 -43.18 87.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.606 -179.405 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.475 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 60.9 ttm-85 -59.02 -49.91 76.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.802 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 40.6 ttp -66.0 -31.53 72.48 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.085 -177.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 15' ' ' ALA . 78.3 t -61.91 -46.98 95.3 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.747 0.308 . . . . 0.0 110.291 175.292 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 76.5 mt -63.63 -43.22 97.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.254 178.474 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 17' ' ' ARG . 16.0 mm-40 -56.29 -42.75 78.01 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.168 177.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.475 ' HB2' HG23 ' A' ' 32' ' ' THR . 16.0 m -78.29 -31.44 48.95 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.961 -178.234 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -63.55 -20.45 65.64 Favored 'General case' 0 C--O 1.226 -0.137 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 177.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.05 -8.87 18.78 Favored Glycine 0 CA--C 1.525 0.684 0 CA-C-N 115.719 -0.673 . . . . 0.0 113.406 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -124.12 -30.77 3.43 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 117.18 0.49 . . . . 0.0 110.608 174.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.456 ' HD2' ' O ' ' A' ' 22' ' ' SER . 59.7 m-85 -73.1 156.39 38.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.952 0.406 . . . . 0.0 110.957 178.643 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -84.86 -26.05 27.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.198 0.523 . . . . 0.0 110.63 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.549 ' HB2' ' HE3' ' A' ' 30' ' ' TRP . 6.1 p -138.86 143.91 38.99 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.07 -176.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.438 HE22 HG11 ' A' ' 51' ' ' VAL . 51.2 tt0 -59.87 -36.67 77.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.777 177.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.549 ' HE3' ' HB2' ' A' ' 28' ' ' SER . 27.2 m-90 -62.43 -39.9 94.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.127 -177.038 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.96 -38.33 90.66 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.039 0.447 . . . . 0.0 110.345 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.475 HG23 ' HB2' ' A' ' 22' ' ' SER . 24.0 m -64.1 -48.34 76.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.713 176.643 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.695 HG23 HD23 ' A' ' 47' ' ' LEU . 80.9 mt -57.1 -43.2 80.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.41 -178.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 63.2 m -66.22 -17.17 64.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.796 -178.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.2 m -98.55 -36.77 9.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.028 0.442 . . . . 0.0 111.071 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.5 mm -80.44 -38.39 17.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.798 -175.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.568 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -55.22 -51.43 79.79 Favored Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -176.491 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.568 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 16.7 Cg_exo -68.36 -25.96 35.55 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 121.974 1.783 . . . . 0.0 112.116 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -68.38 -44.1 75.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.367 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.6 mt -81.06 -38.13 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.041 0.448 . . . . 0.0 110.724 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.74 53.08 0.93 Allowed Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -177.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.8 p -146.26 153.33 40.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.71 0.291 . . . . 0.0 110.878 -176.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.505 ' HB ' ' OG1' ' A' ' 46' ' ' THR . 43.8 m -64.71 130.41 94.75 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.373 176.486 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.51 -41.66 71.68 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.831 2.354 . . . . 0.0 112.573 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.543 ' O ' HG23 ' A' ' 49' ' ' VAL . 45.9 mt-10 -67.09 -32.79 74.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.505 ' OG1' ' HB ' ' A' ' 43' ' ' THR . 19.2 m -67.79 -37.35 81.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.144 0.497 . . . . 0.0 110.279 176.446 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.695 HD23 HG23 ' A' ' 33' ' ' ILE . 46.9 tp -62.17 -38.0 87.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.817 176.603 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -60.06 -44.4 94.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.137 174.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 45' ' ' GLU . 49.7 t -60.06 -41.63 87.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.64 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 53.0 m0 -62.12 -43.95 97.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.438 HG11 HE22 ' A' ' 29' ' ' GLN . 56.1 t -67.37 -41.29 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.19 177.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.1 ttm-85 -59.66 -49.89 75.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.54 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.31 -47.27 86.03 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -56.57 -40.49 75.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.384 -178.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.572 -175.686 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 . . . . . 0 C--O 1.218 -0.565 0 N-CA-C 111.263 0.097 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 87.3 t -57.41 -47.51 84.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.864 0.364 . . . . 0.0 111.189 -178.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 52.3 ttp180 -61.99 -49.83 74.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.268 0.556 . . . . 0.0 111.374 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -79.62 -27.7 41.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.825 -172.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -74.5 -30.85 61.97 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 175.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.585 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -59.88 -50.64 72.99 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.724 174.425 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.464 HG13 HG22 ' A' ' 51' ' ' VAL . 54.6 t -61.13 -38.25 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.619 176.301 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.1 tpp85 -60.4 -42.95 97.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.357 177.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -73.98 -25.0 59.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.41 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 15' ' ' ALA . 79.7 t -60.29 -40.17 83.02 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 171.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.7 mt -68.67 -40.44 80.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.43 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -60.67 -37.1 80.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.928 177.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.9 m -82.39 -17.71 44.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.952 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -66.99 -32.74 74.18 Favored 'General case' 0 CA--C 1.522 -0.118 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 176.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.2 48.96 2.87 Favored Glycine 0 C--N 1.33 0.204 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.361 175.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -165.96 -57.32 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -73.22 149.41 42.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.237 177.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -82.35 -18.02 43.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.429 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.7 p -132.55 127.81 35.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.366 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.472 ' O ' HG12 ' A' ' 33' ' ' ILE . 29.1 tt0 -68.29 -26.78 65.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.608 -178.219 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 6.9 m-90 -63.28 -35.52 80.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.723 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.11 -39.99 82.64 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.178 0.513 . . . . 0.0 109.967 177.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.6 m -57.91 -46.14 85.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.627 175.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 29' ' ' GLN . 47.6 mm -56.71 -48.21 81.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.663 178.003 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 59.5 m -71.92 -7.32 47.84 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.947 -176.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.0 m -98.05 -33.24 11.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.014 0.435 . . . . 0.0 110.935 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.534 HD12 HG22 ' A' ' 19' ' ' VAL . 69.1 mt -87.92 -31.68 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.485 -176.265 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.28 -53.81 59.73 Favored Pre-proline 0 CA--C 1.539 0.552 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -68.39 -18.48 44.03 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.777 1.651 . . . . 0.0 112.324 178.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -71.52 -53.37 14.09 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.3 mt -72.57 -34.82 49.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.27 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.23 50.7 1.69 Allowed Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -178.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.0 p -141.56 172.06 13.2 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.894 0.378 . . . . 0.0 110.594 -178.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.5 m -79.02 128.83 75.04 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.717 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.86 -37.46 95.8 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.131 2.554 . . . . 0.0 112.275 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.596 ' O ' HG23 ' A' ' 49' ' ' VAL . 40.7 mt-10 -57.06 -46.49 82.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.601 177.335 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.0 m -63.73 -38.1 89.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.962 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.442 ' O ' HG23 ' A' ' 51' ' ' VAL . 44.1 tp -63.76 -40.33 96.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.783 177.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 48' ' ' ARG . 15.5 tpt180 -66.49 -35.49 80.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.342 175.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 45' ' ' GLU . 70.3 t -59.48 -45.35 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.829 177.13 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 50.0 m0 -61.72 -39.12 90.39 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 120.966 0.412 . . . . 0.0 110.766 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.464 HG22 HG13 ' A' ' 16' ' ' VAL . 57.5 t -67.64 -50.05 64.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.472 177.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.441 ' HA ' ' HB2' ' A' ' 55' ' ' GLU . 40.0 ttm180 -65.4 -32.09 73.54 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.759 0.314 . . . . 0.0 110.95 -178.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -61.1 -41.75 97.24 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -76.94 -26.02 53.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.049 0.452 . . . . 0.0 110.722 176.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.441 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 19.1 tt0 . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.674 176.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.563 ' O ' ' HG3' ' A' ' 14' ' ' ARG . 33.1 mt-10 . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.892 0.377 . . . . 0.0 110.535 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 63.6 t -65.86 -41.13 89.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.003 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.422 ' O ' HG23 ' A' ' 16' ' ' VAL . 44.8 ttp180 -62.61 -40.77 98.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.04 176.266 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.422 ' HA ' ' OE1' ' A' ' 13' ' ' GLN . 6.0 tp60 -66.17 -41.89 89.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.534 -179.306 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.563 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 95.3 mtt180 -57.32 -47.24 82.06 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-O 121.1 0.476 . . . . 0.0 109.8 175.254 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -55.58 -50.46 70.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.657 -177.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.543 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 69.2 t -56.95 -44.27 82.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.712 -179.418 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.4 ttp85 -65.04 -43.75 91.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.579 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.491 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 66.8 mtt -61.42 -42.24 98.43 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.569 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.8 t -60.07 -46.37 94.4 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.269 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.524 177.54 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 84.5 mt -62.44 -48.58 79.06 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.754 0.311 . . . . 0.0 111.173 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -62.07 -44.37 96.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.881 -178.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.554 ' HB2' HG23 ' A' ' 32' ' ' THR . 18.2 m -73.62 -25.01 60.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -64.83 -30.17 71.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.108 0.48 . . . . 0.0 109.988 176.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.06 -8.39 86.88 Favored Glycine 0 CA--C 1.522 0.499 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.224 175.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -99.59 -55.07 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.941 0.4 . . . . 0.0 110.546 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -73.68 163.09 28.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.649 -176.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -87.43 -8.08 56.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.857 176.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.4 t -138.52 132.62 31.48 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.0 -176.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.408 ' O ' ' HB ' ' A' ' 32' ' ' THR . 45.3 tt0 -70.58 -27.85 64.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.586 0.708 . . . . 0.0 109.11 174.426 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.427 ' CD1' ' N ' ' A' ' 30' ' ' TRP . 5.5 m0 -65.0 -51.17 63.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.29 178.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.0 -29.08 70.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.713 177.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.573 ' O ' HG12 ' A' ' 36' ' ' ILE . 92.5 m -62.34 -54.99 32.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.354 176.256 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.505 HG23 ' HB2' ' A' ' 47' ' ' LEU . 58.6 mt -56.82 -40.73 73.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 120.99 0.424 . . . . 0.0 110.845 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.5 t -61.06 -28.11 68.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.96 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.425 ' O ' ' HD2' ' A' ' 38' ' ' PRO . 21.0 m -95.39 -17.35 21.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.617 -176.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.573 HG12 ' O ' ' A' ' 32' ' ' THR . 49.5 mm -83.5 -24.11 8.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.24 0.543 . . . . 0.0 110.564 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.587 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -54.48 -53.18 62.59 Favored Pre-proline 0 CA--C 1.54 0.588 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.738 177.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.587 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 2.3 Cg_endo -82.22 8.04 4.74 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.374 2.049 . . . . 0.0 112.222 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 36' ' ' ILE . 27.5 tptp -90.23 -29.2 18.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.211 178.297 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.1 mt -110.79 -41.38 4.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.418 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.16 35.36 1.03 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.741 -0.743 . . . . 0.0 111.447 -175.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 66.0 m -129.56 174.48 9.62 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.3 p -91.84 157.52 41.34 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.477 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 14.5 Cg_endo -58.07 -24.54 66.48 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.614 2.209 . . . . 0.0 111.954 178.146 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -64.45 -44.68 90.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.275 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.5 m -61.6 -42.95 99.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.229 -176.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.505 ' HB2' HG23 ' A' ' 33' ' ' ILE . 3.7 mm? -61.11 -42.31 98.3 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.193 -179.5 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 44' ' ' PRO . 54.6 mtt180 -57.42 -46.83 83.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.77 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.629 HG12 HE21 ' A' ' 53' ' ' GLN . 30.9 t -65.55 -42.25 92.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.625 -179.04 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 35.6 m0 -61.3 -41.93 97.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.694 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 47' ' ' LEU . 94.9 t -62.69 -45.11 99.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.744 0.307 . . . . 0.0 110.542 178.186 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.406 ' O ' ' HB3' ' A' ' 55' ' ' GLU . 34.9 ttt180 -66.08 -32.09 73.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.809 -179.084 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.629 HE21 HG12 ' A' ' 49' ' ' VAL . 76.4 mt-30 -66.56 -35.11 79.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.614 176.322 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -73.06 -26.27 61.22 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.406 ' HB3' ' O ' ' A' ' 52' ' ' ARG . 33.7 tt0 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.811 175.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 . . . . . 0 N--CA 1.456 -0.165 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.7 t -62.59 -40.33 87.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.843 -176.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.6 tpp85 -59.03 -50.96 72.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.58 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -67.75 -42.58 81.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.484 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -58.02 -41.99 84.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.113 -178.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.475 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -63.86 -51.86 62.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.137 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.501 HG21 ' HB2' ' A' ' 54' ' ' HIS . 40.1 t -64.84 -42.64 95.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.747 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -56.51 -45.68 80.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.218 175.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 41.8 tpp -58.63 -42.27 87.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.562 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 15' ' ' ALA . 90.1 t -66.75 -55.09 19.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.74 -40.92 97.92 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -173.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.42 -39.73 74.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.575 -178.556 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.7 m -72.2 -28.78 63.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.045 0.45 . . . . 0.0 109.902 176.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -63.44 -29.83 71.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.609 174.013 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.74 -28.48 70.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.075 175.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -74.17 -35.05 63.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.316 0.579 . . . . 0.0 109.665 176.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -99.16 -157.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.844 175.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -134.34 8.13 3.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.528 0.68 . . . . 0.0 109.421 172.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.402 ' OG ' ' HE3' ' A' ' 30' ' ' TRP . 39.4 t -131.36 121.75 25.19 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.067 -174.296 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.407 ' O ' HG13 ' A' ' 33' ' ' ILE . 66.0 mt-30 -65.26 -46.7 79.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.957 0.408 . . . . 0.0 110.092 172.744 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.402 ' HE3' ' OG ' ' A' ' 28' ' ' SER . 9.9 m-90 -55.23 -51.98 64.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.812 -173.624 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.38 94.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.169 0.509 . . . . 0.0 110.89 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.455 ' O ' HG13 ' A' ' 36' ' ' ILE . 26.9 m -67.43 -47.35 70.45 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.29 -178.187 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.625 HG23 ' HB2' ' A' ' 47' ' ' LEU . 78.2 mt -55.54 -41.57 64.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.5 -178.258 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.6 m -62.35 -28.48 69.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.865 0.364 . . . . 0.0 111.618 -178.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 t -89.96 -20.07 23.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.912 0.386 . . . . 0.0 110.945 -176.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 32' ' ' THR . 60.2 mt -86.6 -15.52 9.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.903 0.382 . . . . 0.0 111.247 -176.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.546 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -54.17 -56.91 21.15 Favored Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.54 177.699 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.546 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 73.1 Cg_endo -76.41 -10.09 18.91 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 121.85 1.7 . . . . 0.0 111.886 177.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.4 tttt -79.93 -42.29 24.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.003 -177.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.1 mm -83.6 -45.45 18.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.145 175.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.75 47.36 0.4 Allowed Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.058 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 19.3 p -153.75 -167.87 2.8 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.6 p -94.84 154.67 39.78 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.765 -0.198 . . . . 0.0 110.66 177.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.416 ' HA ' ' HB2' ' A' ' 37' ' ' ALA . 76.6 Cg_exo -51.94 -49.99 15.47 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.505 2.804 . . . . 0.0 114.343 -172.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -61.78 -21.65 64.76 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -175.654 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.7 m -66.13 -36.96 84.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 110.699 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.625 ' HB2' HG23 ' A' ' 33' ' ' ILE . 3.3 mm? -64.81 -44.31 90.31 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.206 178.736 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 57.7 ttp85 -63.09 -35.94 81.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.379 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 45' ' ' GLU . 92.7 t -63.31 -50.28 79.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.262 175.472 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 43.3 m0 -61.66 -39.73 92.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.378 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 47' ' ' LEU . 77.7 t -60.13 -44.1 94.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 120.64 0.257 . . . . 0.0 110.484 176.532 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -64.54 -42.74 95.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.108 177.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 49' ' ' VAL . 94.1 mt-30 -58.73 -46.41 87.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.547 178.096 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.501 ' HB2' HG21 ' A' ' 16' ' ' VAL . 68.7 t60 -72.25 -20.84 61.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.163 -178.659 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 . . . . . 0 C--N 1.326 -0.418 0 CA-C-O 121.18 0.514 . . . . 0.0 109.683 178.447 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.129 0.49 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.9 t -65.61 -37.34 79.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.228 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -58.24 -51.86 68.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.567 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -60.59 -42.06 95.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.526 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.486 ' O ' ' HG2' ' A' ' 18' ' ' MET . 99.3 mtt180 -60.62 -42.13 96.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.216 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.438 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -61.95 -49.86 74.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.305 -179.084 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -64.66 -36.61 77.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.212 0.529 . . . . 0.0 110.344 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -62.44 -38.73 90.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.026 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.486 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 92.4 mmm -63.13 -42.61 99.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.229 175.28 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 15' ' ' ALA . 93.3 t -58.84 -48.22 86.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.604 177.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.58 -45.59 89.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.034 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -57.74 -47.67 81.8 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.28 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.4 t -65.56 -41.13 93.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.271 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -65.9 -13.22 59.27 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.818 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.91 -28.35 71.77 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.883 173.204 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -111.76 -38.43 4.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.013 0.435 . . . . 0.0 109.962 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -80.66 107.79 13.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.554 177.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -76.33 -24.67 54.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.494 -172.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.5 m -97.21 108.38 21.09 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.36 -178.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.411 ' O ' HG13 ' A' ' 33' ' ' ILE . 6.7 tt0 -56.19 -38.08 70.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.454 -177.18 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -61.19 -37.78 84.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.783 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.2 -39.27 82.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.108 177.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.4 m -63.1 -49.75 73.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.877 177.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.568 HG23 HD23 ' A' ' 47' ' ' LEU . 82.6 mt -56.69 -48.41 80.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.311 -179.21 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.0 m -65.53 -14.44 61.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.817 -178.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.2 m -97.92 -41.6 7.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.873 0.368 . . . . 0.0 110.912 178.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.8 mm -79.56 -40.54 21.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.988 -174.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.568 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -53.65 -52.23 69.06 Favored Pre-proline 0 CA--C 1.536 0.431 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -176.432 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.568 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 9.9 Cg_exo -71.86 -24.44 21.14 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 121.991 1.794 . . . . 0.0 112.049 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -72.5 -43.42 63.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.155 -179.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 47.8 mm -74.7 -44.72 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.398 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.34 51.83 0.38 Allowed Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.758 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.7 p -152.67 171.3 18.4 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -178.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.3 p -91.44 151.06 42.31 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.764 -0.198 . . . . 0.0 110.96 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.07 -37.69 86.86 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.026 2.484 . . . . 0.0 112.144 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.542 ' O ' HG23 ' A' ' 49' ' ' VAL . 11.0 tp10 -52.84 -59.32 4.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.488 175.4 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.3 m -61.64 -42.3 98.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.495 -175.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.568 HD23 HG23 ' A' ' 33' ' ' ILE . 49.3 tp -63.7 -43.86 95.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.801 -179.125 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.9 ttt85 -66.82 -31.78 72.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.086 -178.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 45' ' ' GLU . 88.1 t -61.66 -44.36 98.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 174.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 38.1 m0 -64.79 -34.68 78.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.052 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.493 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 85.1 t -60.15 -54.78 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 176.072 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.5 HH21 ' CD ' ' A' ' 55' ' ' GLU . 1.7 mmp_? -58.58 -38.89 78.87 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.603 178.461 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -62.84 -46.03 89.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.903 178.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -62.79 -37.29 86.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.942 0.401 . . . . 0.0 110.27 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.5 ' CD ' HH21 ' A' ' 52' ' ' ARG . 47.6 mt-10 . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.538 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 . . . . . 0 C--O 1.233 0.213 0 CA-C-O 120.924 0.392 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.3 t -69.95 -40.1 78.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -61.19 -40.53 94.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.12 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -63.71 -49.67 72.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.768 178.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -59.17 -40.27 85.1 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.566 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.468 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -55.61 -51.59 66.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.074 178.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 51.8 t -65.81 -42.66 92.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.948 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -59.74 -45.62 91.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.977 -178.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 71.8 mtm -59.51 -44.68 93.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.665 0.269 . . . . 0.0 110.93 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 15' ' ' ALA . 98.7 t -59.88 -44.97 95.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.771 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.9 mt -67.84 -41.82 82.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.287 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -61.59 -51.52 68.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.322 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.4 m -67.29 -27.39 67.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.631 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -60.52 -34.78 74.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.038 0.447 . . . . 0.0 110.141 176.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.04 -22.72 76.19 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.568 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -94.18 -18.8 21.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.945 0.402 . . . . 0.0 110.83 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -109.63 -163.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.668 175.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -111.29 -36.22 5.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.988 0.423 . . . . 0.0 110.644 177.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 t -117.64 140.45 49.63 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.078 -175.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.464 ' O ' HG13 ' A' ' 33' ' ' ILE . 9.4 pt20 -73.2 -27.77 61.81 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-O 121.076 0.465 . . . . 0.0 109.747 175.003 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 9.4 m-90 -70.92 -23.16 62.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.209 0.528 . . . . 0.0 110.163 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.26 -26.24 52.27 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.797 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.6 p -91.97 -40.53 11.07 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.992 179.151 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.804 HG23 HD23 ' A' ' 47' ' ' LEU . 70.2 mt -51.81 -47.01 40.48 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.576 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.2 p -67.76 -14.77 63.23 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 -177.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.0 t -98.83 -19.14 17.56 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.154 0.502 . . . . 0.0 110.704 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.7 mt -102.67 -43.63 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.73 -175.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.553 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -54.37 -50.77 83.11 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -176.437 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.553 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 24.6 Cg_exo -64.32 -25.45 64.23 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 122.042 1.828 . . . . 0.0 112.296 179.286 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -76.61 -29.57 56.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.195 0.521 . . . . 0.0 110.272 -179.166 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.6 mt -83.7 -42.67 17.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.348 0.594 . . . . 0.0 109.718 175.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.87 16.59 9.09 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.717 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.5 p -109.4 168.75 9.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.816 0.341 . . . . 0.0 110.571 -178.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.401 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 13.3 p -83.32 143.16 44.47 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.769 178.08 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 43' ' ' THR . 48.8 Cg_exo -56.44 -37.52 97.03 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.764 2.31 . . . . 0.0 112.367 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.486 ' O ' HG23 ' A' ' 49' ' ' VAL . 48.7 mt-10 -63.16 -53.91 45.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.088 -178.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.2 m -65.25 -33.31 75.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.466 -178.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.804 HD23 HG23 ' A' ' 33' ' ' ILE . 55.1 tp -61.54 -42.52 98.95 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.845 0.355 . . . . 0.0 110.164 176.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -65.16 -37.08 86.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.506 177.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 45' ' ' GLU . 91.8 t -59.3 -41.03 82.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.756 178.407 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 32.1 m0 -60.7 -44.15 96.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.794 177.384 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.47 -46.39 96.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.135 176.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -60.64 -42.57 97.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.845 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 14.5 mm100 -66.73 -25.68 66.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.772 179.4 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 13.8 m80 -78.9 -30.88 45.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.71 174.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 . . . . . 0 C--N 1.331 -0.235 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 175.143 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 CA--C 1.531 0.225 0 CA-C-O 120.913 0.387 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 72.0 t -67.25 -48.98 76.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.348 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 49.6 mtm180 -64.19 -40.13 95.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.1 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -53.95 -57.97 9.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.463 176.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -63.38 -33.55 75.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.18 -177.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.583 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -59.5 -60.85 3.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.818 177.183 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.508 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 61.8 t -63.87 -39.98 87.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.639 -178.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.517 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 40.6 ttt-85 -55.45 -52.01 65.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.377 177.712 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 34.2 ttp -60.72 -36.93 80.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 15' ' ' ALA . 98.8 t -60.76 -49.81 83.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.641 0.258 . . . . 0.0 110.383 176.62 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 78.3 mt -61.75 -48.12 82.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.292 -177.117 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 17' ' ' ARG . 39.5 mt-10 -73.82 -14.34 61.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.711 -174.155 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.2 m -92.69 -27.69 17.11 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 172.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -67.17 -26.96 66.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.513 178.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.42 -13.09 59.98 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.478 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -111.69 -48.89 3.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.851 0.358 . . . . 0.0 110.643 178.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -65.34 155.19 36.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.568 0.699 . . . . 0.0 112.667 -174.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -76.5 -35.14 58.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.332 -177.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.6 t -125.11 143.11 51.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.191 -175.028 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -74.13 -23.56 59.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.49 176.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 64.4 t90 -72.35 -36.76 68.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.545 174.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.95 -38.44 91.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.01 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.8 p -69.3 -50.02 50.61 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.786 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.5 mt -56.85 -46.11 83.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.8 0.333 . . . . 0.0 110.929 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.9 t -65.17 -23.77 67.2 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.428 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.0 m -92.68 -22.26 19.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.807 0.337 . . . . 0.0 111.24 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.2 mt -93.35 -27.03 4.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.011 0.434 . . . . 0.0 111.027 -177.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.42 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -50.4 -53.71 42.28 Favored Pre-proline 0 CA--C 1.541 0.602 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.343 177.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.42 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 74.4 Cg_endo -73.57 -0.74 9.72 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.139 1.893 . . . . 0.0 113.229 -179.252 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -86.9 -28.44 22.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.176 0.513 . . . . 0.0 109.98 177.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.9 mt -106.21 -41.37 6.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.477 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.25 19.85 8.21 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 -176.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.3 p -105.64 147.8 28.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.684 0.278 . . . . 0.0 110.987 -177.185 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.513 ' HB ' ' OG1' ' A' ' 46' ' ' THR . 36.8 m -69.96 138.67 87.67 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.059 177.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -49.09 -40.42 41.57 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.991 2.46 . . . . 0.0 113.19 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.502 ' O ' HG23 ' A' ' 49' ' ' VAL . 6.6 mm-40 -68.27 -32.55 72.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.923 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.513 ' OG1' ' HB ' ' A' ' 43' ' ' THR . 2.1 m -69.79 -41.99 74.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.216 0.531 . . . . 0.0 109.785 177.295 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.583 HD11 HG21 ' A' ' 19' ' ' VAL . 1.1 tm? -59.08 -43.15 91.79 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.509 -0.769 . . . . 0.0 108.931 175.222 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -55.74 -38.13 69.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.067 178.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 45' ' ' GLU . 84.3 t -64.52 -45.89 94.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.978 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.467 ' HE3' HD22 ' A' ' 47' ' ' LEU . 17.0 m0 -63.77 -33.36 75.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.943 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.556 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 84.8 t -62.49 -45.93 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.117 175.317 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -60.94 -42.99 99.28 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.84 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -60.74 -37.7 82.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.785 0.326 . . . . 0.0 110.145 179.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -67.22 -48.21 68.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.006 179.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 51' ' ' VAL . 5.5 mm-40 . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.6 -177.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 . . . . . 0 CA--C 1.527 0.087 0 CA-C-O 120.964 0.411 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.2 t -67.08 -43.26 88.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.562 -179.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -65.2 -36.05 82.97 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -66.3 -46.71 76.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.32 176.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -57.97 -53.52 57.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.395 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.483 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -58.93 -59.67 5.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.564 -0.743 . . . . 0.0 112.163 -174.44 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.4 t -58.46 -41.14 80.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.448 -175.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.4 ttp85 -62.34 -45.08 94.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.697 -178.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.549 ' HG2' HD12 ' A' ' 36' ' ' ILE . 50.5 ttm -68.89 -31.7 70.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.877 -178.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 15' ' ' ALA . 77.7 t -65.22 -52.71 49.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.415 175.69 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.1 mt -58.28 -41.92 85.41 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.943 0.401 . . . . 0.0 110.675 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -56.24 -48.24 76.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.832 178.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.464 ' HB2' HG23 ' A' ' 32' ' ' THR . 16.1 m -77.23 -24.8 51.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -178.527 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -68.1 -19.72 64.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.308 0.575 . . . . 0.0 109.975 175.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.98 -1.77 69.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.789 173.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -117.92 -53.96 2.35 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 178.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -77.25 144.17 38.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.557 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -89.8 -14.63 34.07 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.426 0.631 . . . . 0.0 109.625 176.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.0 t -103.64 129.02 50.87 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.643 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.448 ' NE2' HG11 ' A' ' 51' ' ' VAL . 59.8 tp60 -67.22 -39.86 86.31 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.62 176.095 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 18.9 m-90 -68.81 -40.9 79.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.963 -176.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.56 -30.62 68.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.94 0.4 . . . . 0.0 110.669 176.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.464 HG23 ' HB2' ' A' ' 22' ' ' SER . 27.4 m -76.75 -44.17 34.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.616 178.55 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.462 HG23 HD23 ' A' ' 47' ' ' LEU . 83.9 mt -61.42 -48.18 90.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.003 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 80.5 m -69.43 -13.44 62.36 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -175.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.9 p -98.73 -38.82 8.93 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.438 179.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.549 HD12 ' HG2' ' A' ' 18' ' ' MET . 50.0 mm -79.64 -38.2 19.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.881 -175.719 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.51 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -54.63 -54.78 45.11 Favored Pre-proline 0 CA--C 1.539 0.541 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -176.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.51 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 71.8 Cg_endo -75.71 -9.9 19.92 Favored 'Trans proline' 0 C--N 1.357 0.974 0 C-N-CA 122.103 1.869 . . . . 0.0 112.261 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -81.22 -40.71 23.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.429 0.633 . . . . 0.0 109.938 177.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.424 ' CD1' ' HA ' ' A' ' 15' ' ' ALA . 66.0 mt -83.01 -42.85 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.444 177.544 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.6 47.27 0.58 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.081 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 62.2 m -139.08 160.9 38.69 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.6 p -78.24 141.35 61.98 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-O 120.64 0.257 . . . . 0.0 110.963 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.53 -37.12 90.28 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 123.262 2.642 . . . . 0.0 112.928 -177.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.527 ' O ' HG23 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -71.55 -32.61 68.32 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.396 -178.15 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 97.1 m -71.41 -40.0 70.76 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.462 HD23 HG23 ' A' ' 33' ' ' ILE . 41.4 tp -62.86 -40.19 96.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.192 177.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -56.28 -44.44 79.79 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.733 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 45' ' ' GLU . 81.2 t -59.3 -45.48 93.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 37.3 m0 -62.59 -39.09 92.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.262 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.448 HG11 ' NE2' ' A' ' 29' ' ' GLN . 94.2 t -64.73 -47.93 86.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.765 178.745 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -61.13 -39.71 91.08 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.018 177.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -63.33 -51.42 66.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.062 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -61.41 -35.8 78.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.766 0.317 . . . . 0.0 111.041 -178.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.147 178.647 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.689 0.281 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.1 t -63.19 -43.26 98.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.15 -177.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.484 ' O ' HG23 ' A' ' 16' ' ' VAL . 54.7 mtm180 -58.1 -56.01 27.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.739 -178.605 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -65.72 -36.74 84.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.042 -176.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -59.83 -47.72 84.57 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.358 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.528 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -66.79 -49.58 65.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.261 -179.574 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 12' ' ' ARG . 97.5 t -58.05 -47.61 86.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.253 -178.575 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -64.09 -35.32 80.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.896 0.379 . . . . 0.0 110.608 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 46.4 ttm -66.33 -39.87 89.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.911 177.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 15' ' ' ALA . 84.3 t -62.28 -47.09 94.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.367 175.371 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 92.4 mt -59.53 -49.29 78.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.333 -178.317 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -58.66 -39.41 80.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.892 0.377 . . . . 0.0 111.025 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.488 ' HB2' HG23 ' A' ' 32' ' ' THR . 16.7 m -80.26 -21.58 42.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.179 -178.371 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -74.39 -20.86 59.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.297 0.57 . . . . 0.0 109.584 175.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.68 -13.55 75.29 Favored Glycine 0 N--CA 1.449 -0.459 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 172.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -89.31 -58.0 2.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.282 0.563 . . . . 0.0 110.353 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -100.01 -175.45 2.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.929 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -118.89 0.91 11.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.453 0.644 . . . . 0.0 109.434 173.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.7 t -112.69 115.4 28.5 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.951 -176.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -67.65 -28.31 67.6 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 173.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -61.0 -51.3 69.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.461 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.44 -37.68 88.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.717 178.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.488 HG23 ' HB2' ' A' ' 22' ' ' SER . 90.7 m -61.43 -57.38 12.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.95 178.059 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 98.2 mt -62.41 -37.65 79.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.228 -177.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.0 t -63.11 -22.48 66.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.228 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.9 m -90.84 -23.94 20.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.931 0.396 . . . . 0.0 110.939 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.1 mt -89.68 -34.14 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.21 -176.134 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.572 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -53.38 -51.86 71.79 Favored Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -178.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.572 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 6.4 Cg_exo -75.82 -10.42 19.9 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.339 2.026 . . . . 0.0 112.462 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -80.7 -39.46 27.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.103 0.478 . . . . 0.0 110.152 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.6 mt -89.0 -46.31 15.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.059 177.216 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.42 48.87 0.95 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.549 -177.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.7 p -144.12 167.02 23.38 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 -178.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.43 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 1.3 p -70.0 138.5 87.53 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.363 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 43' ' ' THR . 68.2 Cg_exo -51.85 -43.21 53.26 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.509 2.806 . . . . 0.0 113.954 -176.234 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.431 ' O ' HG23 ' A' ' 49' ' ' VAL . 42.8 mt-10 -62.18 -27.13 68.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.631 0.253 . . . . 0.0 111.259 -176.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.4 m -64.1 -36.0 82.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.299 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.488 ' O ' HG23 ' A' ' 51' ' ' VAL . 3.4 mm? -61.25 -46.67 89.43 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.431 178.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -61.08 -33.9 74.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.679 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.453 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 86.7 t -60.4 -51.97 66.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.958 178.519 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 29.3 m0 -62.93 -39.8 95.67 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.783 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 47' ' ' LEU . 89.9 t -65.04 -42.19 93.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.359 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -62.92 -34.08 76.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.327 -179.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 49' ' ' VAL . 97.7 mt-30 -60.38 -46.34 90.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.128 174.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -66.0 -45.16 82.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.159 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.728 -176.289 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.274 0 CA-C-O 120.788 0.328 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.46 HG22 HH22 ' A' ' 14' ' ' ARG . 79.7 t -64.56 -42.79 96.16 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.22 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.738 177.633 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.417 ' O ' HG23 ' A' ' 16' ' ' VAL . 61.4 ttp180 -56.63 -49.06 76.09 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.131 -178.328 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -62.04 -43.41 98.9 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.158 0.504 . . . . 0.0 110.761 -178.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.46 HH22 HG22 ' A' ' 11' ' ' VAL . 35.4 ttp-105 -68.89 -42.46 76.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.99 -178.365 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.501 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -59.75 -45.53 91.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.554 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 12' ' ' ARG . 90.1 t -61.77 -39.83 84.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.876 0.369 . . . . 0.0 110.419 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -66.64 -37.28 84.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.177 177.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.8 mmt -59.57 -43.28 93.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.696 175.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.514 ' O ' ' HB2' ' A' ' 23' ' ' GLN . 85.9 t -56.9 -45.77 83.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.46 178.723 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.1 mt -69.72 -41.44 75.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.035 0.445 . . . . 0.0 110.816 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -57.8 -49.87 75.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.497 -178.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.542 ' HB3' HG23 ' A' ' 32' ' ' THR . 8.1 t -81.88 -13.85 57.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.344 -178.26 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.514 ' HB2' ' O ' ' A' ' 19' ' ' VAL . 34.6 tt0 -67.17 -25.34 66.11 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.616 0.722 . . . . 0.0 109.392 173.563 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.66 -6.17 76.3 Favored Glycine 0 CA--C 1.523 0.582 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.679 173.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -113.24 -57.41 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.671 -0.311 . . . . 0.0 110.937 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.401 ' CD2' ' HA ' ' A' ' 32' ' ' THR . 46.5 m-85 -69.94 137.94 51.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.629 0.252 . . . . 0.0 110.518 177.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -75.75 -38.58 58.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.109 0.481 . . . . 0.0 109.909 178.18 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 p -104.59 126.96 52.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.562 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -65.54 -19.86 66.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.375 -175.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -61.28 -47.13 87.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.985 0.422 . . . . 0.0 110.23 177.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.96 -34.8 78.93 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.35 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.542 HG23 ' HB3' ' A' ' 22' ' ' SER . 13.3 m -55.62 -58.37 8.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.67 176.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.661 HG23 HD23 ' A' ' 47' ' ' LEU . 71.7 mt -62.06 -36.46 74.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.824 -178.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.2 t -61.37 -40.79 95.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.665 -177.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.409 ' O ' ' HD2' ' A' ' 38' ' ' PRO . 43.5 m -80.36 -28.49 38.02 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -176.627 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 32' ' ' THR . 74.3 mt -79.17 -27.14 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.809 0.338 . . . . 0.0 111.515 -176.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.581 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -54.79 -53.71 57.66 Favored Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -177.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.581 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 5.6 Cg_exo -77.65 -7.83 16.81 Favored 'Trans proline' 0 C--N 1.356 0.974 0 C-N-CA 122.334 2.022 . . . . 0.0 112.163 -179.249 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -74.22 -39.56 63.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.169 0.509 . . . . 0.0 110.098 178.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.9 mt -96.53 -41.46 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.414 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.61 48.88 0.57 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.066 -178.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.41 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 83.5 m -141.95 174.09 10.91 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.386 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.0 p -93.25 148.37 35.5 Favored Pre-proline 0 C--N 1.318 -0.781 0 C-N-CA 121.182 -0.207 . . . . 0.0 110.732 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.94 -35.75 90.35 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.88 2.387 . . . . 0.0 112.443 -178.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.527 ' O ' HG23 ' A' ' 49' ' ' VAL . 11.5 mm-40 -61.37 -43.59 98.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.293 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.4 m -65.16 -43.23 92.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.894 0.378 . . . . 0.0 110.713 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.661 HD23 HG23 ' A' ' 33' ' ' ILE . 53.0 tp -65.75 -38.43 89.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.425 178.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -58.28 -42.73 87.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.497 177.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 45' ' ' GLU . 91.2 t -64.13 -42.83 96.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.009 178.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 48.5 m0 -59.43 -41.33 89.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.813 0.339 . . . . 0.0 111.089 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 47' ' ' LEU . 57.9 t -62.3 -48.92 86.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.557 178.509 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 36.6 ttm-85 -63.21 -38.28 90.56 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.151 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -66.78 -30.16 70.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.697 0.284 . . . . 0.0 110.93 177.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -71.15 -32.1 68.53 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 175.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 . . . . . 0 C--N 1.33 -0.24 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 174.412 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 N--CA 1.464 0.261 0 CA-C-O 120.733 0.301 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.452 HG13 HG21 ' A' ' 40' ' ' ILE . 88.2 t -63.41 -43.8 98.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.519 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -64.51 -46.84 81.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.184 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -62.46 -41.67 98.92 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.496 178.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.419 ' O ' ' HG3' ' A' ' 18' ' ' MET . 5.7 tpp180 -56.75 -51.54 68.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.33 178.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.509 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -56.26 -54.3 47.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.372 -177.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 72.5 t -57.31 -44.67 84.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.499 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 47.7 ttt85 -63.98 -46.21 85.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.947 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.419 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 87.8 mtp -61.11 -35.78 77.94 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.907 0.384 . . . . 0.0 110.92 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 15' ' ' ALA . 69.7 t -63.76 -42.3 95.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.422 176.619 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.8 mt -67.35 -42.51 83.39 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.844 0.354 . . . . 0.0 110.776 179.136 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 17' ' ' ARG . 44.7 mt-10 -57.76 -44.83 86.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.038 177.434 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.499 ' HB2' HG23 ' A' ' 32' ' ' THR . 16.4 m -78.77 -16.73 56.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.99 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -67.84 -28.93 67.98 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 175.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.59 3.52 59.44 Favored Glycine 0 CA--C 1.523 0.543 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.484 174.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -121.71 -45.57 2.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.982 0.42 . . . . 0.0 110.475 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -85.86 154.57 21.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.46 177.139 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -91.19 -21.81 20.95 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.37 0.605 . . . . 0.0 109.497 175.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.3 m -127.12 117.33 22.19 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.001 -178.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -59.97 -19.03 50.03 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.108 178.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.9 t-105 -52.58 -45.57 66.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.531 177.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.59 -30.25 59.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.822 -178.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.499 HG23 ' HB2' ' A' ' 22' ' ' SER . 7.2 m -62.2 -49.23 76.61 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.972 -179.317 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.837 HG23 HD23 ' A' ' 47' ' ' LEU . 98.8 mt -55.68 -47.83 78.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.077 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 54.3 m -69.72 -15.04 63.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.646 -0.707 . . . . 0.0 112.117 -174.031 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.2 m -98.13 -36.19 10.15 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.715 -177.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.3 mt -85.66 -28.64 6.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.637 0.256 . . . . 0.0 111.512 -175.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.414 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -53.03 -52.81 61.96 Favored Pre-proline 0 CA--C 1.539 0.556 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 55.6 Cg_endo -69.64 -14.05 35.89 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.019 1.813 . . . . 0.0 113.209 -178.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -72.92 -49.64 28.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.995 0.426 . . . . 0.0 110.581 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.452 HG21 HG13 ' A' ' 11' ' ' VAL . 37.4 mt -86.74 -24.52 6.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.129 0.49 . . . . 0.0 110.361 -178.633 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.09 43.09 6.43 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.562 -179.057 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 86.4 m -122.54 152.22 40.59 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.908 0.385 . . . . 0.0 110.487 -178.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.438 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -66.72 125.56 90.86 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.322 179.333 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 43' ' ' THR . 32.7 Cg_exo -59.23 -30.24 92.45 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.91 2.407 . . . . 0.0 112.109 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -64.56 -40.94 96.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.565 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.4 m -67.48 -32.9 74.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.324 178.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.837 HD23 HG23 ' A' ' 33' ' ' ILE . 49.6 tp -63.76 -37.64 88.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.054 178.011 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 36.3 mtt180 -58.76 -38.97 79.65 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.229 0.538 . . . . 0.0 110.139 175.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.6 t -66.12 -42.89 92.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.583 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 30.9 m0 -61.13 -36.15 78.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.836 178.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 47' ' ' LEU . 87.9 t -59.42 -49.65 82.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.138 175.492 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -60.95 -53.12 61.13 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.473 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -61.15 -45.52 94.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.621 -173.282 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -66.9 -48.55 68.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.532 0.206 . . . . 0.0 111.349 -175.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 . . . . . 0 C--N 1.324 -0.533 0 CA-C-O 120.841 0.353 . . . . 0.0 111.199 -174.544 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 . . . . . 0 N--CA 1.455 -0.213 0 CA-C-O 120.755 0.312 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.4 t -69.22 -44.3 80.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.311 -178.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -62.23 -41.8 98.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.511 178.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -66.38 -47.83 72.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.554 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -60.89 -37.41 82.11 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.51 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -56.8 -60.61 3.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 178.685 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.6 t -58.95 -40.19 79.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.548 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -55.78 -54.21 47.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.41 178.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 70.7 mtm -66.49 -31.29 71.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.566 -175.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 15' ' ' ALA . 96.8 t -66.31 -40.57 87.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.874 0.369 . . . . 0.0 110.865 177.775 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.6 mt -68.14 -47.57 67.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.343 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -66.47 -28.83 68.89 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -176.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.2 p -80.89 -32.14 34.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.123 0.487 . . . . 0.0 110.194 176.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.4 tm0? -64.4 -19.93 65.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.541 175.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.4 -13.94 61.28 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.77 175.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -119.47 -45.55 2.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.91 0.355 . . . . 0.0 110.933 178.037 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -78.82 136.1 37.25 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.111 178.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -70.66 -44.09 67.78 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.208 0.527 . . . . 0.0 110.669 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.6 t -89.58 122.18 32.48 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.349 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.563 ' O ' HG13 ' A' ' 33' ' ' ILE . 52.6 tt0 -74.48 -22.21 59.2 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.476 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -66.41 -29.39 69.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.65 175.31 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.6 -32.15 63.94 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.091 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.0 p -77.96 -31.06 50.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.809 0.338 . . . . 0.0 110.353 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 29' ' ' GLN . 75.8 mt -56.73 -49.37 78.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 177.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.7 p -80.07 -7.63 58.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.79 0.328 . . . . 0.0 111.215 -179.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.414 ' O ' ' HD2' ' A' ' 38' ' ' PRO . 22.3 t -92.36 -37.56 12.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.991 0.425 . . . . 0.0 110.534 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.8 mp -87.45 -22.44 6.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.987 -178.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.513 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -49.19 -48.81 72.87 Favored Pre-proline 0 CA--C 1.542 0.667 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 178.416 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.513 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 20.2 Cg_exo -66.22 -21.82 54.54 Favored 'Trans proline' 0 C--N 1.358 1.051 0 C-N-CA 122.068 1.845 . . . . 0.0 112.643 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -75.95 -32.27 59.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.041 0.448 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.6 mt -89.3 -36.53 8.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.932 176.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.52 36.87 4.7 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -176.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.0 p -129.27 173.59 10.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.076 0.465 . . . . 0.0 111.069 -176.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.4 m -87.34 144.44 35.89 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.253 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -43.37 -44.3 10.45 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.116 2.544 . . . . 0.0 112.93 175.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.521 ' O ' HG23 ' A' ' 49' ' ' VAL . 8.9 tp10 -58.47 -46.93 85.64 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.886 0.374 . . . . 0.0 110.864 176.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.6 m -58.04 -39.4 78.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.859 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 33' ' ' ILE . 41.8 tp -68.01 -38.09 82.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.207 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.407 HH21 ' CD ' ' A' ' 45' ' ' GLU . 28.5 ttp180 -66.48 -32.89 74.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.262 177.28 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.595 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 90.5 t -59.58 -46.55 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.597 176.4 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -62.71 -39.37 93.81 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.894 0.378 . . . . 0.0 110.843 178.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 47' ' ' LEU . 89.8 t -64.3 -40.36 88.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.22 176.139 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -64.49 -36.35 83.9 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.655 178.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.595 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 84.0 mm-40 -62.01 -44.48 96.64 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 176.72 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -70.81 -29.39 65.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.51 178.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.149 176.983 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 . . . . . 0 N--CA 1.455 -0.199 0 CA-C-O 120.534 0.206 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 87.9 t -61.34 -51.6 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.185 -176.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.0 mtm-85 -66.86 -33.54 75.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.952 0.406 . . . . 0.0 110.702 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.6 tm0? -66.13 -52.9 44.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.803 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -69.08 -28.27 66.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.777 -178.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.522 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -61.31 -55.13 35.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.861 178.044 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.411 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 61.4 t -62.77 -36.19 74.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.374 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.5 mmm-85 -56.31 -52.62 63.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.792 174.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 40.8 ttm -61.71 -36.55 81.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.364 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 15' ' ' ALA . 70.1 t -61.2 -47.78 91.97 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.295 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.839 176.275 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 95.4 mt -62.14 -43.8 98.03 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.727 0.299 . . . . 0.0 111.238 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.47 -42.87 97.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.04 0.448 . . . . 0.0 110.854 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.559 ' HB2' HG23 ' A' ' 32' ' ' THR . 48.2 m -78.87 -21.19 47.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -68.65 -31.61 70.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.054 0.454 . . . . 0.0 110.314 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.41 -16.15 73.37 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.254 175.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -100.95 -47.35 4.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.939 0.399 . . . . 0.0 110.422 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -85.9 119.62 26.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.477 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.46 -54.29 42.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.244 178.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.435 ' HB3' ' HE3' ' A' ' 30' ' ' TRP . 19.5 m -88.86 127.44 35.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.46 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.42 ' O ' HG13 ' A' ' 33' ' ' ILE . 32.2 tt0 -58.76 -31.26 68.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.221 -178.606 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.435 ' HE3' ' HB3' ' A' ' 28' ' ' SER . 25.3 m-90 -62.45 -38.56 90.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.14 -34.98 79.29 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.084 0.469 . . . . 0.0 109.94 177.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.559 HG23 ' HB2' ' A' ' 22' ' ' SER . 22.5 m -62.84 -47.61 82.63 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.211 174.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.567 HG23 HD23 ' A' ' 47' ' ' LEU . 70.1 mt -60.82 -49.69 83.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.146 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 86.3 m -65.27 -16.89 64.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.796 -178.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.5 t -87.51 -43.62 11.89 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.894 0.378 . . . . 0.0 110.57 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.419 ' CD1' ' HA ' ' A' ' 19' ' ' VAL . 67.6 mt -88.92 -26.75 5.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -171.382 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.5 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -55.25 -56.2 31.22 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -178.21 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.5 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 69.2 Cg_endo -74.87 -14.18 21.54 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 121.593 1.529 . . . . 0.0 111.844 178.414 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -72.48 -49.41 33.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.689 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.4 mt -83.1 -38.34 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.491 177.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.61 39.84 1.84 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.386 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.1 p -127.31 158.36 37.42 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 33.3 p -75.09 132.72 76.36 Favored Pre-proline 0 C--N 1.32 -0.692 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.372 177.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -51.94 -34.48 56.51 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.495 2.797 . . . . 0.0 112.645 -178.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.453 ' O ' HG23 ' A' ' 49' ' ' VAL . 4.6 mp0 -64.92 -39.35 93.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.96 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.0 m -76.31 -35.21 58.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.015 0.436 . . . . 0.0 110.216 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.567 HD23 HG23 ' A' ' 33' ' ' ILE . 48.9 tp -62.98 -39.85 95.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.075 177.258 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -56.68 -40.39 75.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.299 175.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.542 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 97.5 t -62.59 -51.0 77.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.257 -178.498 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 30.5 m0 -59.05 -37.33 76.76 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 120.688 0.28 . . . . 0.0 111.197 -177.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.5 t -64.95 -50.0 77.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.107 176.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -62.23 -30.62 71.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.476 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.542 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 91.1 mm-40 -68.49 -36.48 78.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.69 0.281 . . . . 0.0 110.83 177.549 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -83.01 -9.91 59.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.124 0.488 . . . . 0.0 110.806 178.319 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.719 178.79 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 120.387 0.137 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.561 ' HB ' ' OG1' ' A' ' 5' ' ' THR . 14.9 p -65.12 127.11 30.3 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.993 0.425 . . . . 0.0 110.866 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -96.79 109.28 21.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.074 -175.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 64.7 t30 61.76 23.14 13.53 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.067 176.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.561 ' OG1' ' HB ' ' A' ' 2' ' ' THR . 14.0 m -76.14 99.01 4.53 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.126 0.489 . . . . 0.0 110.394 177.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' A' ' 6' ' ' ARG . 16.8 ptt180 -149.91 -174.82 4.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.249 -177.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -76.73 163.31 26.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.738 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.5 p -81.05 140.57 49.81 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.018 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.561 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 18.2 Cg_endo -60.35 -48.65 11.07 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.635 2.223 . . . . 0.0 112.573 -178.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -55.21 -51.67 65.81 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.646 -177.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 88.0 t -63.25 -39.77 86.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.983 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -63.15 -49.74 73.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.69 0.281 . . . . 0.0 110.734 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 9' ' ' PRO . 10.5 mm100 -63.52 -42.17 98.47 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.837 0.351 . . . . 0.0 110.634 -178.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.411 ' HD2' HH11 ' A' ' 14' ' ' ARG . 1.1 tmt_? -65.33 -37.07 85.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.108 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -60.92 -54.24 47.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.698 177.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.89 -35.45 60.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.586 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.7 ttt-85 -63.15 -49.19 75.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.246 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 51.3 ttm -61.39 -32.36 72.28 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.911 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 15' ' ' ALA . 84.1 t -61.29 -47.67 92.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.101 175.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.73 -43.11 94.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.388 178.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -53.32 -42.02 66.27 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.387 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.534 ' HB2' HG23 ' A' ' 32' ' ' THR . 15.9 m -85.04 -14.88 45.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.708 -177.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 19' ' ' VAL . 56.3 mt-30 -72.82 -25.74 61.24 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.995 0.426 . . . . 0.0 110.391 174.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.89 -37.17 94.46 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.365 171.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -82.4 -52.97 6.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.959 0.409 . . . . 0.0 110.737 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -106.67 123.73 48.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.337 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -86.77 -12.08 49.14 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.175 0.512 . . . . 0.0 110.257 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.9 m -85.94 106.97 17.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.887 175.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -56.27 -41.84 76.48 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.83 -171.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 6.6 m0 -63.01 -42.48 99.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.995 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.53 -40.56 87.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.175 0.512 . . . . 0.0 110.454 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.534 HG23 ' HB2' ' A' ' 22' ' ' SER . 19.8 m -63.92 -57.87 8.46 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.981 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.44 HG23 HD23 ' A' ' 47' ' ' LEU . 74.7 mt -63.28 -45.0 99.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.034 -173.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.1 t -64.85 -23.95 67.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.903 -174.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.0 m -89.86 -27.34 19.98 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.698 0.258 . . . . 0.0 111.698 -176.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.8 mt -85.4 -35.34 9.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.645 0.259 . . . . 0.0 111.601 -175.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.532 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -49.91 -52.35 52.95 Favored Pre-proline 0 CA--C 1.543 0.699 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -175.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.532 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.7 Cg_exo -66.7 -11.54 32.32 Favored 'Trans proline' 0 C--N 1.359 1.129 0 C-N-CA 122.428 2.085 . . . . 0.0 113.245 -176.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -85.9 -39.12 17.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.105 0.478 . . . . 0.0 110.737 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 62.8 mt -85.64 -29.77 6.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.583 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.11 47.64 1.22 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.796 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.435 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 14.7 p -145.99 172.9 12.7 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.3 p -92.62 148.65 36.61 Favored Pre-proline 0 C--N 1.321 -0.635 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.472 176.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.5 -31.99 95.5 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.49 2.127 . . . . 0.0 111.532 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.509 ' O ' HG23 ' A' ' 49' ' ' VAL . 30.1 mt-10 -63.5 -45.61 89.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.637 178.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.8 m -71.92 -39.35 69.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.619 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.44 HD23 HG23 ' A' ' 33' ' ' ILE . 44.2 tp -62.24 -37.81 86.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.304 178.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -61.55 -41.94 98.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.511 176.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 45' ' ' GLU . 95.4 t -62.06 -42.0 93.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.775 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 42.5 m0 -60.62 -43.64 97.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.095 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 47' ' ' LEU . 62.1 t -64.47 -42.37 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.475 178.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -65.46 -39.83 92.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.673 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -67.89 -38.06 82.53 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.415 ' O ' ' HB3' ' A' ' 57' ' ' ASP . 52.8 t-80 -68.23 -19.35 64.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.56 178.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -72.03 -44.62 63.1 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 173.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.427 ' HA ' ' HD3' ' A' ' 56' ' ' ARG . 4.9 mmt180 -77.88 -3.83 43.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.629 179.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' A' ' 54' ' ' HIS . 14.0 t70 -63.13 -37.58 87.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.119 174.224 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.2 m -71.07 -15.31 62.52 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.562 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.63 74.72 2.22 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.103 -0.57 . . . . 0.0 112.368 -178.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -92.47 126.84 8.7 Favored Glycine 0 N--CA 1.443 -0.884 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.125 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -153.95 167.47 29.62 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -166.53 125.12 1.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.499 0.499 . . . . 0.0 110.789 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.71 106.37 2.05 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.258 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 179.96 76.3 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.508 -0.637 . . . . 0.0 111.508 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.8 mp -101.42 137.63 39.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.911 0.386 . . . . 0.0 110.789 -177.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.0 m -69.89 129.14 38.71 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.26 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.8 p -91.38 143.8 26.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.258 0.551 . . . . 0.0 111.83 -175.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.13 95.02 8.27 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.944 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -76.99 -67.11 0.74 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.236 -176.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.8 ttt85 -120.54 -28.21 4.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.059 0.457 . . . . 0.0 110.565 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -80.15 113.3 18.22 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 172.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.55 107.97 10.4 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.183 -173.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.1 mt -84.57 173.3 10.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.393 174.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -111.72 117.46 32.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.06 0.457 . . . . 0.0 111.08 -178.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -89.18 113.77 57.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 174.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -79.85 174.24 11.88 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 122.79 2.326 . . . . 0.0 113.094 -175.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.456 ' CD ' ' H ' ' A' ' 78' ' ' ARG . 1.3 tm-20 -88.12 -163.0 0.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.612 178.509 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.456 ' H ' ' CD ' ' A' ' 77' ' ' GLU . 23.8 ttm180 -76.35 -33.13 58.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.117 0.484 . . . . 0.0 110.389 179.255 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -72.68 105.89 4.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.68 0.753 . . . . 0.0 111.845 -175.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.07 81.37 6.21 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.332 175.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -87.28 165.79 15.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.773 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.19 157.28 38.03 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.011 -175.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 56.0 tp -134.48 -27.49 1.34 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.391 -175.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.465 ' O ' ' HB3' ' A' ' 85' ' ' ARG . 44.5 ttt180 -71.94 -31.34 66.24 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.258 -173.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.465 ' HB3' ' O ' ' A' ' 84' ' ' ARG . 6.8 ttm180 77.21 131.2 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.548 -178.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.3 m -52.5 128.35 25.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.874 -175.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -79.78 -159.62 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 167.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -83.46 157.62 22.37 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 174.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.542 HG22 HH21 ' A' ' 91' ' ' ARG . 46.5 mm -60.49 -37.12 73.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.707 ' HG ' ' H ' ' A' ' 91' ' ' ARG . 12.3 tp 58.2 -168.67 0.13 Allowed 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.254 173.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.707 ' H ' ' HG ' ' A' ' 90' ' ' LEU . 13.9 mtm105 65.6 13.88 9.17 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 122.838 0.455 . . . . 0.0 110.786 177.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 31.1 tp -80.64 126.99 31.96 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -176.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.15 87.51 0.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.318 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.5 t -126.47 91.07 3.29 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 174.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -139.0 171.76 13.84 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.475 -176.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -92.05 60.83 3.88 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.988 0.423 . . . . 0.0 110.008 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 64.63 115.15 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 114.795 -1.093 . . . . 0.0 112.169 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.82 -26.8 62.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.1 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -89.66 143.95 26.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.752 177.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.74 131.94 41.23 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.511 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -72.36 -50.57 25.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.327 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -92.74 143.61 26.13 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 174.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -82.3 154.68 25.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.277 0.56 . . . . 0.0 111.61 -173.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -149.66 -13.81 0.28 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.243 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 92.1 mt -85.82 80.48 8.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.921 0.391 . . . . 0.0 111.879 -169.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -86.18 -15.1 42.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.26 0.552 . . . . 0.0 109.626 171.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -101.4 142.94 32.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.908 175.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt . . . . . 0 C--O 1.25 1.089 0 CA-C-O 119.102 -0.475 . . . . 0.0 110.554 179.063 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.2 ttm . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.399 0.142 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.6 t -83.43 166.62 18.21 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.02 0.438 . . . . 0.0 111.406 -176.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -124.5 -173.43 2.78 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -81.17 104.63 11.78 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 173.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.9 m -78.15 90.19 4.27 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.598 -171.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 66.75 2.5 2.62 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.779 176.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -106.71 101.41 10.85 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.149 0.5 . . . . 0.0 110.145 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.525 ' HB2' HG23 ' A' ' 11' ' ' VAL . 19.6 m -92.38 146.43 32.5 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.927 177.24 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 8' ' ' SER . 52.7 Cg_exo -55.37 -41.18 80.77 Favored 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 123.096 2.531 . . . . 0.0 113.823 -175.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -75.02 -15.26 60.65 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.565 -174.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.525 HG23 ' HB2' ' A' ' 8' ' ' SER . 81.8 t -58.72 -34.89 53.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 121.325 0.584 . . . . 0.0 110.047 176.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.486 ' O ' HG23 ' A' ' 16' ' ' VAL . 45.7 ttp180 -61.76 -49.3 76.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.39 178.35 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -61.4 -41.74 97.61 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.568 178.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' A' ' 18' ' ' MET . 26.0 ttt-85 -59.6 -43.0 93.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.311 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.458 ' HB1' HD13 ' A' ' 40' ' ' ILE . . . -61.51 -42.84 99.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.962 178.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.552 HG22 ' HB3' ' A' ' 50' ' ' TRP . 59.8 t -62.25 -44.13 98.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.736 178.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -62.61 -37.44 86.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.739 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.493 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 96.0 mmm -56.59 -46.95 80.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.884 0.373 . . . . 0.0 110.331 177.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.506 ' HA ' HG13 ' A' ' 36' ' ' ILE . 47.4 t -63.07 -48.92 85.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.397 178.289 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.5 mt -59.82 -45.23 93.04 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.893 -177.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -63.03 -41.3 99.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.18 -177.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.0 m -78.09 -27.2 48.43 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.973 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -62.55 -40.59 97.32 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.936 0.398 . . . . 0.0 110.806 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.03 -6.68 89.04 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.732 178.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -92.88 -43.0 9.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.008 0.433 . . . . 0.0 109.834 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -92.03 178.42 5.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.968 176.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -98.9 -45.43 5.98 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.074 0.464 . . . . 0.0 109.939 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.9 m -83.27 120.27 25.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.532 -176.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -67.23 -45.71 75.94 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.873 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -57.9 -50.0 74.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.181 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.22 -43.18 74.25 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.035 177.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.478 ' O ' HG12 ' A' ' 36' ' ' ILE . 73.8 m -59.86 -52.57 64.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.448 177.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.593 HG23 ' HB2' ' A' ' 47' ' ' LEU . 73.2 mt -54.26 -45.03 67.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.276 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.5 t -73.21 -16.86 61.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.609 -176.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.9 m -95.49 -21.5 18.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.776 0.322 . . . . 0.0 111.505 -178.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.506 HG13 ' HA ' ' A' ' 19' ' ' VAL . 47.0 mm -86.19 -27.97 6.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.089 0.471 . . . . 0.0 110.049 177.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.559 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -51.96 -51.95 66.22 Favored Pre-proline 0 CA--C 1.539 0.525 0 CA-C-N 115.439 -0.801 . . . . 0.0 112.697 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.559 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 12.9 Cg_exo -70.23 -21.89 30.69 Favored 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 122.136 1.89 . . . . 0.0 112.525 -178.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -74.89 -33.58 62.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.949 0.404 . . . . 0.0 110.414 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.51 HD12 HD11 ' A' ' 47' ' ' LEU . 62.9 mt -86.8 -43.62 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.311 177.569 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.92 47.83 0.99 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.804 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.457 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 17.0 p -152.33 170.35 20.28 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -178.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.7 p -76.39 148.18 80.11 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.627 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.585 ' HA ' HD23 ' A' ' 47' ' ' LEU . 40.7 Cg_exo -57.58 -24.47 62.26 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.603 2.202 . . . . 0.0 111.983 177.109 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -60.27 -38.68 84.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.194 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.5 m -66.96 -37.6 84.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.898 -178.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.593 ' HB2' HG23 ' A' ' 33' ' ' ILE . 3.4 mm? -63.37 -38.36 90.86 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.48 178.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.465 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 78.8 mtt180 -57.44 -45.68 84.43 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 177.255 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 64.2 t -65.25 -44.78 95.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.355 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.552 ' HB3' HG22 ' A' ' 16' ' ' VAL . 26.8 m0 -61.28 -46.77 88.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.579 -178.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 88.7 t -64.56 -44.19 96.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.845 0.355 . . . . 0.0 110.231 178.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.465 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 5.6 tpt180 -58.57 -52.18 66.74 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.425 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -62.86 -38.18 89.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.093 -177.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -63.41 -38.16 90.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.993 178.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.504 ' O ' ' HA3' ' A' ' 59' ' ' GLY . 6.5 mm-40 -73.31 -21.45 60.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.788 0.328 . . . . 0.0 111.432 -179.096 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -86.25 -34.36 20.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.265 0.555 . . . . 0.0 109.965 173.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -72.62 -56.37 5.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.372 -178.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 m -104.71 27.22 8.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.357 0.599 . . . . 0.0 110.083 -177.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.504 ' HA3' ' O ' ' A' ' 55' ' ' GLU . . . -101.28 90.87 0.89 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.384 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -113.46 107.04 1.87 Allowed Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.808 -0.71 . . . . 0.0 111.774 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -94.97 136.61 35.08 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -162.89 104.93 1.03 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.116 176.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -155.52 174.39 33.58 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.007 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.0 -67.72 1.34 Allowed Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.49 -0.862 . . . . 0.0 111.519 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.3 tp 54.01 37.79 27.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.502 0.667 . . . . 0.0 110.337 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.8 m -80.0 66.72 5.57 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.763 0.792 . . . . 0.0 110.523 -177.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.3 m -130.15 98.45 4.74 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.506 176.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -99.64 169.34 9.34 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.224 -178.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -73.33 111.92 8.9 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 177.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.576 ' O ' ' HB2' ' A' ' 71' ' ' GLN . 9.1 ptp180 -58.65 -53.1 62.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.328 -179.22 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.576 ' HB2' ' O ' ' A' ' 70' ' ' ARG . 55.9 tp60 157.94 -91.58 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.651 1.18 . . . . 0.0 107.955 177.383 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.437 ' O ' ' HD3' ' A' ' 72' ' ' ARG . 0.0 OUTLIER 178.16 102.64 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.187 -0.915 . . . . 0.0 108.883 175.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.3 mt -90.29 97.14 11.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.6 -173.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -145.12 -44.96 0.22 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.689 178.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.443 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 51.1 mm-40 -65.52 131.8 94.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.376 176.004 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 75' ' ' GLU . 31.4 Cg_exo -59.03 -64.33 0.11 Allowed 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 122.856 2.371 . . . . 0.0 113.256 -175.046 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 60.76 42.72 13.1 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.768 0.794 . . . . 0.0 109.174 -176.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.414 ' HA ' ' HD3' ' A' ' 78' ' ' ARG . 9.9 mmt180 -119.24 -30.89 4.82 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.108 -174.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -71.37 131.08 42.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.62 0.248 . . . . 0.0 110.355 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.754 ' HB3' HH21 ' A' ' 84' ' ' ARG . 65.5 t30 59.41 49.8 8.35 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -175.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -64.78 -44.73 89.05 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.952 -178.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 46.0 mt-10 -91.93 153.17 19.67 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 173.557 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' A' ' 82' ' ' GLU . 80.5 mt 66.51 25.65 10.08 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.637 0.732 . . . . 0.0 109.091 -170.462 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.754 HH21 ' HB3' ' A' ' 80' ' ' ASN . 1.3 tpm_? -62.13 132.45 52.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.805 -1.088 . . . . 0.0 111.238 -178.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 85' ' ' ARG . 0.7 OUTLIER -91.4 120.53 32.33 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 172.351 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.8 m -74.79 108.25 7.41 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.347 0.594 . . . . 0.0 111.334 -175.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -129.63 177.84 6.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.473 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.418 ' O ' ' HB ' ' A' ' 89' ' ' ILE . 7.6 p-10 -84.78 35.02 0.55 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.473 -178.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.418 ' HB ' ' O ' ' A' ' 88' ' ' ASP . 49.7 mm 72.89 151.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.704 178.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.7 mp -60.78 118.34 6.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.083 0.468 . . . . 0.0 110.241 176.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 37.5 ttt-85 -135.83 137.5 41.59 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.363 -178.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 55.1 tp -104.14 -80.58 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.365 -0.38 . . . . 0.0 109.993 176.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -174.06 153.58 2.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.89 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.1 t -104.8 -79.22 0.56 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 176.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.9 142.14 27.82 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 176.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -89.56 19.51 4.53 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -175.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.422 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 92.7 m-85 72.04 -51.59 0.7 Allowed 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 170.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 97' ' ' PHE . . . 73.99 -51.1 0.69 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.588 0.755 . . . . 0.0 109.783 -170.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -126.38 110.15 13.03 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 169.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -113.39 13.63 19.02 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.106 0.479 . . . . 0.0 110.676 -176.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -67.14 100.87 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.29 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -66.3 -34.45 78.03 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 175.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 24.0 t0 59.79 78.66 0.26 Allowed 'General case' 0 C--O 1.232 0.165 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.881 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -136.42 25.97 3.17 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.663 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.0 mt -81.72 69.78 8.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.212 -0.903 . . . . 0.0 110.984 -177.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -88.96 164.01 15.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.202 175.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp 70.3 168.17 0.3 Allowed 'General case' 0 C--O 1.235 0.326 0 O-C-N 123.789 0.681 . . . . 0.0 111.245 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 90.2 mttt . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.551 -0.738 . . . . 0.0 109.864 -178.028 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.9 t -99.17 144.64 28.07 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 175.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.522 ' HG2' ' H ' ' A' ' 4' ' ' ASN . 36.2 ttpt -133.86 171.04 14.72 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.522 ' H ' ' HG2' ' A' ' 3' ' ' LYS . 32.0 p30 -63.18 159.58 17.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.259 0.552 . . . . 0.0 111.178 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.1 t -90.81 -179.18 5.44 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.318 176.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.736 HH11 ' HA ' ' A' ' 6' ' ' ARG . 8.2 mmm180 -86.96 -3.0 59.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.248 0.546 . . . . 0.0 110.715 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -83.39 77.8 9.75 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 163.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.9 m -55.49 142.47 60.67 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.738 -170.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -51.05 -43.22 49.33 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.564 2.842 . . . . 0.0 112.696 -178.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.95 -45.54 93.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.677 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.19 -43.93 99.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.527 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.477 ' O ' HG23 ' A' ' 16' ' ' VAL . 61.5 ttp180 -61.06 -46.29 91.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.469 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -65.53 -41.12 93.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.128 0.489 . . . . 0.0 110.156 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -59.88 -43.19 94.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.007 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.509 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -60.76 -46.5 90.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.163 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 12' ' ' ARG . 85.6 t -56.76 -48.04 81.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.797 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -66.71 -41.3 88.19 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.667 177.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 48.2 ttm -56.95 -38.61 73.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.857 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 15' ' ' ALA . 97.8 t -61.94 -53.11 52.32 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.516 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.572 176.233 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 92.3 mt -62.18 -43.6 98.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.109 0.481 . . . . 0.0 111.154 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -61.71 -36.97 82.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.694 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.5 m -85.93 -23.73 26.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.702 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -59.22 -41.59 89.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.869 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.12 -33.57 80.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.368 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -83.48 -42.05 17.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.716 0.293 . . . . 0.0 111.25 -178.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -66.2 162.83 19.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.742 0.782 . . . . 0.0 112.472 -176.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.78 -40.0 61.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.831 178.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 p -143.29 163.53 32.74 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.925 0.393 . . . . 0.0 111.901 -173.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -59.49 -52.62 64.81 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.94 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -63.1 -36.89 85.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 -175.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.17 -25.44 67.77 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.998 0.428 . . . . 0.0 111.009 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.4 m -80.94 -44.76 17.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.61 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 76.6 mt -66.49 -47.32 84.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.837 -176.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.8 p -69.88 -18.25 63.4 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -172.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.4 p -93.62 -33.22 13.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.735 0.302 . . . . 0.0 111.562 -178.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.2 mt -83.47 -35.48 11.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.679 -177.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.436 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -52.54 -53.98 47.64 Favored Pre-proline 0 CA--C 1.54 0.59 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -175.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 33.8 Cg_endo -63.48 -22.56 71.07 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.952 1.768 . . . . 0.0 112.129 -179.038 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -78.7 -20.74 49.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.202 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.8 mt -82.11 -40.23 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.371 0.605 . . . . 0.0 109.769 175.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.15 -9.98 8.85 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.439 -0.8 . . . . 0.0 112.131 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 22.7 p -106.49 -177.57 3.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.767 0.318 . . . . 0.0 110.636 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.1 p -91.08 162.54 32.28 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.923 178.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.477 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 51.0 Cg_exo -55.94 -32.54 86.01 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.796 2.33 . . . . 0.0 112.331 179.256 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -50.04 -51.46 42.12 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.991 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.2 m -61.2 -42.98 99.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.131 -178.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.418 ' O ' HG23 ' A' ' 51' ' ' VAL . 32.9 tp -69.03 -36.85 78.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -176.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 44' ' ' PRO . 32.1 mtp-105 -55.2 -41.72 72.34 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.932 0.396 . . . . 0.0 110.588 176.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.8 t -65.79 -48.43 82.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.888 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 50.7 m0 -57.51 -47.27 82.4 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.159 -177.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 47' ' ' LEU . 63.6 t -63.42 -47.13 93.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.02 -179.291 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -65.11 -37.98 89.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.789 -177.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -57.96 -50.57 72.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.022 0.439 . . . . 0.0 110.579 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -66.77 -34.03 76.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.102 -178.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -69.49 -35.01 75.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 53.8 ttm-85 -79.88 -27.97 39.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.066 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -87.99 -53.95 4.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.575 -178.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 34.6 m -83.1 98.2 9.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.153 0.502 . . . . 0.0 111.163 -174.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 144.46 -89.56 0.16 Allowed Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.388 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.1 -81.32 0.56 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.621 -176.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -143.91 98.49 3.24 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 176.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -100.64 12.21 37.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.307 -174.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -94.42 143.59 16.65 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.962 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.15 -97.33 0.11 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.237 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.8 mp -103.16 115.16 30.04 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.912 0.387 . . . . 0.0 110.633 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.4 m -79.94 -53.88 6.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.264 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.7 m 58.62 18.87 6.19 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 121.504 0.669 . . . . 0.0 111.885 176.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.57 97.39 11.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.929 -0.482 . . . . 0.0 110.699 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -169.13 -74.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.938 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 32.8 ttp-105 -101.45 -53.76 2.92 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.237 -172.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -128.0 101.56 6.36 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.206 -178.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -96.77 -39.81 9.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.122 174.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.1 tt -86.88 102.5 14.39 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.62 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -104.38 108.03 19.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.265 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -151.25 92.89 3.69 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.766 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -75.28 157.9 41.36 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 123.07 2.514 . . . . 0.0 111.285 176.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -97.59 -78.66 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.267 0.556 . . . . 0.0 109.631 177.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -141.21 10.88 2.14 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 177.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 50.84 80.83 0.07 Allowed 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.173 -171.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -87.66 -8.54 56.03 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.348 -1.296 . . . . 0.0 111.194 -167.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -100.88 108.53 20.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 0.0 110.34 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -89.92 167.08 13.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.136 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 98.4 mt 69.61 -63.1 0.39 Allowed 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.743 0.652 . . . . 0.0 111.372 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -133.95 130.39 37.61 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -73.26 -177.15 2.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.178 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.5 m -56.24 140.69 43.83 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.961 0.41 . . . . 0.0 112.085 -175.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -93.26 -176.24 4.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.34 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -113.64 -43.74 3.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.903 0.382 . . . . 0.0 110.843 -178.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.3 tp -133.27 137.26 53.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.175 -178.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.413 ' N ' HD23 ' A' ' 90' ' ' LEU . 1.4 pt? -136.66 -19.76 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.955 0.407 . . . . 0.0 111.469 -179.068 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -89.38 -50.09 6.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.021 0.438 . . . . 0.0 110.467 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.864 ' HG ' ' H ' ' A' ' 93' ' ' ALA . 20.9 tp -89.37 -168.54 2.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.217 178.298 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.864 ' H ' ' HG ' ' A' ' 92' ' ' LEU . . . 64.06 33.09 12.4 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.174 0.511 . . . . 0.0 110.718 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.9 t -101.63 6.32 41.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.566 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -91.23 156.09 18.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.607 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -103.77 132.87 49.63 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.935 176.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -96.38 -69.01 0.77 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.254 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.03 132.75 25.57 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.337 178.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 100' ' ' ALA . 21.7 ttpp -63.22 -37.32 86.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.688 177.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 99' ' ' LYS . . . 75.26 137.11 0.06 Allowed 'General case' 0 N--CA 1.464 0.256 0 O-C-N 124.323 1.015 . . . . 0.0 110.07 -174.146 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -83.91 98.06 9.57 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.186 0.517 . . . . 0.0 110.35 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -87.2 165.04 16.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.382 175.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 104' ' ' ARG . 4.7 t70 70.17 43.53 0.85 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.932 0.77 . . . . 0.0 109.88 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' A' ' 103' ' ' ASP . 87.6 mtm180 73.57 165.49 0.29 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.877 -179.324 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 60.4 tp -94.33 105.32 17.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.324 178.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.29 36.5 0.47 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.526 178.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm 65.38 103.19 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.768 0.668 . . . . 0.0 111.475 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 45.4 tttm . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.317 -0.849 . . . . 0.0 109.423 -179.553 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.2 tpp . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 120.596 0.236 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.5 t -97.66 -23.56 15.9 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.021 -0.271 . . . . 0.0 110.845 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -70.2 -62.19 1.48 Allowed 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 171.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -139.96 151.09 45.25 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.75 -1.114 . . . . 0.0 109.078 174.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.2 m -106.84 -35.46 6.94 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.602 0.715 . . . . 0.0 109.237 176.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -118.19 129.79 55.71 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.701 -1.136 . . . . 0.0 109.11 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.463 ' HE1' ' HD3' ' A' ' 12' ' ' ARG . 16.6 p90 -74.92 169.22 18.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.954 0.407 . . . . 0.0 112.096 -174.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.444 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 5.8 m -66.56 121.36 76.81 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.156 -170.581 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 8' ' ' SER . 16.8 Cg_exo -68.53 -30.04 29.57 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 123.381 2.721 . . . . 0.0 113.288 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -65.48 -35.75 81.82 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -178.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.4 t -60.75 -37.52 76.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.272 176.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.463 ' HD3' ' HE1' ' A' ' 7' ' ' PHE . 27.5 mtm180 -69.58 -39.58 77.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.21 178.167 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -59.92 -42.75 94.63 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.16 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -58.33 -49.0 78.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.464 175.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.571 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -55.97 -53.73 53.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.391 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.409 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 74.7 t -59.48 -48.59 86.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.324 -178.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.3 mtm180 -65.63 -35.21 80.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.179 -178.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 35.1 ttp -68.53 -32.03 71.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.872 0.368 . . . . 0.0 110.577 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 15' ' ' ALA . 94.4 t -66.85 -43.48 89.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 173.517 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 87.9 mt -62.51 -44.35 96.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.636 178.379 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -54.79 -45.22 74.3 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.125 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.5 p -84.12 -26.6 28.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.486 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -64.61 -28.22 69.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.919 0.39 . . . . 0.0 110.586 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.75 1.82 61.2 Favored Glycine 0 CA--C 1.522 0.484 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.349 176.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -119.23 -32.04 4.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.273 0.559 . . . . 0.0 110.183 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -86.62 -170.65 3.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.495 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -114.01 -58.27 2.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.557 177.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.4 m -94.24 135.84 35.19 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.155 -176.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -67.5 -33.04 74.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.208 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.443 ' HH2' ' HD2' ' A' ' 48' ' ' ARG . 72.3 m95 -71.95 -22.37 61.47 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.348 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.66 -32.2 72.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.469 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.3 p -84.25 -43.01 15.3 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.876 177.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.518 ' HA ' HD23 ' A' ' 47' ' ' LEU . 83.1 mt -57.63 -50.63 76.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.495 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.519 ' HA ' ' HB3' ' A' ' 44' ' ' PRO . 67.8 m -72.74 -12.19 60.91 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -175.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.9 t -98.48 -42.89 7.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.743 0.306 . . . . 0.0 110.946 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.5 mt -73.6 -38.72 52.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -174.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.586 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -56.35 -52.61 71.78 Favored Pre-proline 0 CA--C 1.538 0.519 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -177.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.586 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 17.5 Cg_exo -67.85 -19.97 46.07 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 121.856 1.704 . . . . 0.0 112.227 178.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -76.17 -35.76 59.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.676 177.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 72.6 mt -74.74 -52.85 18.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.176 175.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.94 42.94 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.469 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.3 p -153.64 172.91 16.5 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.1 p -87.44 150.0 47.94 Favored Pre-proline 0 C--N 1.319 -0.753 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 177.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.519 ' HB3' ' HA ' ' A' ' 34' ' ' CYS . 7.9 Cg_endo -49.91 -36.59 44.01 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.687 2.925 . . . . 0.0 114.807 -171.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -68.92 -27.77 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.091 -174.611 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.2 m -70.63 -35.8 73.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.135 0.493 . . . . 0.0 110.299 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' A' ' 33' ' ' ILE . 51.7 tp -64.55 -36.95 85.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.132 177.342 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.443 ' HD2' ' HH2' ' A' ' 30' ' ' TRP . 68.8 ttt180 -60.45 -40.7 92.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.43 176.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 45' ' ' GLU . 57.4 t -59.62 -40.96 83.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.639 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 53.2 m0 -66.6 -42.8 86.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.812 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.423 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 99.0 t -61.85 -44.37 98.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 176.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -54.45 -39.19 67.18 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.2 177.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -61.84 -47.07 86.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.556 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -68.72 -27.45 65.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -177.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 51' ' ' VAL . 50.7 mt-10 -67.62 -36.65 81.21 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 174.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -60.01 -42.19 93.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.227 177.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -59.39 -33.94 71.82 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 176.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.7 m -76.58 -36.22 57.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.522 -176.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.11 -32.57 10.48 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.952 -177.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.03 -28.86 74.01 Favored Glycine 0 C--N 1.329 0.194 0 C-N-CA 121.324 -0.465 . . . . 0.0 113.217 -177.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -147.46 152.68 38.47 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -60.68 -33.05 72.26 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.774 0.321 . . . . 0.0 111.013 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 148.12 -76.83 0.25 Allowed Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.303 -0.951 . . . . 0.0 113.005 178.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -150.64 29.52 1.04 Allowed Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.293 -0.956 . . . . 0.0 113.215 -176.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.2 tt -89.5 126.48 35.6 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.8 t -151.97 170.55 19.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.542 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 38.5 m -89.78 106.61 18.58 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.147 -177.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -140.33 -72.68 0.36 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.227 176.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 59.41 105.09 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 O-C-N 123.863 0.727 . . . . 0.0 111.21 -177.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.3 mtp85 -78.68 75.63 5.19 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.817 -174.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 64.23 98.23 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.349 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -73.17 -34.83 66.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.255 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.7 mt -99.78 176.23 5.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.979 173.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -72.05 -59.9 2.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.229 0.538 . . . . 0.0 110.432 -178.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -92.2 128.3 45.69 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.093 -177.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -62.03 -36.56 70.19 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.24 1.96 . . . . 0.0 109.972 170.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 53.55 59.81 4.1 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 114.499 -1.228 . . . . 0.0 110.913 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -77.73 73.86 4.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.147 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -82.77 72.83 9.84 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.383 -176.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -152.56 40.05 0.58 Allowed 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.27 -1.382 . . . . 0.0 107.27 174.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -60.83 -39.28 88.44 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.374 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.461 ' HB2' ' NH1' ' A' ' 84' ' ' ARG . 1.9 mp0 -78.57 101.41 7.4 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 171.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 96.1 mt -73.35 86.28 1.48 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.315 0.578 . . . . 0.0 110.566 -176.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.461 ' NH1' ' HB2' ' A' ' 82' ' ' GLU . 12.8 ptt-85 -107.2 37.02 2.49 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.168 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -92.78 159.49 15.38 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.811 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 63.1 m -83.55 97.32 8.97 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 174.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -95.66 -32.56 12.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.78 -178.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -118.21 130.03 55.84 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -178.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 61.8 mt -94.79 104.66 16.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.869 0.366 . . . . 0.0 110.961 -176.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.582 ' HB3' ' HB2' ' A' ' 93' ' ' ALA . 8.0 mp -80.94 84.75 6.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.283 178.021 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -80.08 -62.54 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.017 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 65.5 tp -94.43 -40.24 10.02 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 173.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.582 ' HB2' ' HB3' ' A' ' 90' ' ' LEU . . . 57.59 40.07 27.1 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.239 177.392 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.1 p -62.34 101.81 0.26 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 121.306 0.574 . . . . 0.0 110.652 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -89.9 153.02 20.95 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.916 -178.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.402 ' O ' ' HB3' ' A' ' 97' ' ' PHE . 86.7 m-85 -84.62 107.26 16.74 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.176 177.182 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.402 ' HB3' ' O ' ' A' ' 96' ' ' TYR . 84.3 t80 67.84 -79.18 0.04 OUTLIER 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.996 0.81 . . . . 0.0 110.082 -172.299 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 170.36 -176.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -87.7 96.33 10.4 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 171.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.88 152.23 16.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.143 -172.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.8 148.66 26.89 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.324 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -136.17 60.34 1.68 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.338 -0.846 . . . . 0.0 108.863 178.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -99.1 -1.9 38.38 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.146 -177.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.44 ' HA ' ' HD3' ' A' ' 104' ' ' ARG . 3.4 mmt180 -90.96 98.31 11.7 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.601 -177.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.1 tt -135.75 109.58 8.13 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 177.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 25.7 t90 -148.87 167.25 26.2 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 -176.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -61.41 104.62 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.113 0.482 . . . . 0.0 110.929 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 27.1 tptp . . . . . 0 C--O 1.249 1.072 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.586 -177.533 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ttt . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 120.843 0.354 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.3 t -174.46 151.63 1.59 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -89.56 96.1 10.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.158 0.504 . . . . 0.0 111.353 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -115.62 122.4 45.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.598 173.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.1 m -62.14 136.66 58.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.102 -176.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 6' ' ' ARG . 64.8 mtt180 -70.06 116.69 10.73 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 175.28 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -72.78 118.24 15.47 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.618 -172.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.516 ' HB3' HG23 ' A' ' 11' ' ' VAL . 35.4 t -67.87 136.9 92.33 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.203 175.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.38 -32.36 88.45 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.883 2.389 . . . . 0.0 112.108 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 14' ' ' ARG . 18.7 tp10 -64.63 -40.59 95.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.42 179.13 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.516 HG23 ' HB3' ' A' ' 8' ' ' SER . 57.5 t -64.64 -42.13 94.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.394 0.616 . . . . 0.0 110.251 179.402 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.492 ' NH2' ' HG2' ' A' ' 53' ' ' GLN . 38.7 ttt180 -61.15 -44.4 97.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.917 177.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -66.14 -41.39 90.51 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.065 177.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 96.0 mtt180 -56.59 -41.92 77.83 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.092 0.245 . . . . 0.0 110.871 177.502 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.402 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -56.95 -55.66 31.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.761 178.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.443 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 43.5 t -63.62 -39.79 86.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.782 179.357 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -59.08 -49.27 78.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.262 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 67.1 mtt -61.41 -42.34 98.57 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 120.812 0.339 . . . . 0.0 110.509 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 23' ' ' GLN . 73.7 t -61.0 -46.36 96.79 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.267 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.776 178.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 85.8 mt -62.78 -45.56 92.09 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.597 0.236 . . . . 0.0 111.148 -179.393 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -62.77 -42.32 99.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.825 0.345 . . . . 0.0 110.463 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.44 ' O ' ' HB3' ' A' ' 25' ' ' GLU . 17.2 m -76.08 -14.91 60.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.629 179.273 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.567 ' OE1' ' HA ' ' A' ' 29' ' ' GLN . 10.3 tp60 -83.32 -15.17 51.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.312 0.577 . . . . 0.0 109.568 177.085 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.54 -6.8 89.11 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 167.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' A' ' 22' ' ' SER . 4.9 tp10 -99.0 -51.43 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.088 -0.556 . . . . 0.0 109.749 178.461 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -99.58 -176.25 3.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.959 -178.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -116.44 -32.27 5.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.814 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.9 m -87.96 133.03 34.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.984 -177.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.567 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 8.8 tt0 -70.82 -51.01 29.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.881 -173.424 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.474 ' HD1' ' HD2' ' A' ' 48' ' ' ARG . 27.6 t90 -69.05 -25.76 64.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.605 0.24 . . . . 0.0 110.864 -174.015 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.73 -34.86 71.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.406 0.622 . . . . 0.0 110.298 176.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.429 ' CG2' ' HB2' ' A' ' 22' ' ' SER . 9.9 m -77.73 -40.38 41.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.107 177.117 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.636 HG23 ' HB3' ' A' ' 47' ' ' LEU . 50.5 mm -57.93 -49.58 80.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.492 -178.157 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.1 p -73.64 -5.77 42.51 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -175.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.9 m -98.34 -40.94 8.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.991 0.424 . . . . 0.0 110.808 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.0 mm -83.89 -41.93 16.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.725 -175.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.457 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -53.55 -52.91 62.6 Favored Pre-proline 0 CA--C 1.539 0.555 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -176.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.457 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 37.7 Cg_endo -65.66 -22.61 57.56 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.151 1.901 . . . . 0.0 112.866 -178.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -73.5 -42.3 62.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.834 0.35 . . . . 0.0 110.201 178.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.3 mt -72.03 -34.29 50.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.353 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 112.71 37.79 1.38 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.341 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.3 p -140.16 169.93 16.77 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.408 ' HB ' ' OE2' ' A' ' 45' ' ' GLU . 21.7 p -96.98 151.51 37.78 Favored Pre-proline 0 C--N 1.321 -0.632 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.234 178.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -53.28 -29.16 45.96 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.796 2.997 . . . . 0.0 114.368 -175.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.482 ' O ' HG23 ' A' ' 49' ' ' VAL . 2.4 mp0 -53.3 -54.99 28.36 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.224 0.535 . . . . 0.0 110.566 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.7 m -67.94 -33.39 74.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.287 -175.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.636 ' HB3' HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -61.44 -44.5 97.01 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.474 ' HD2' ' HD1' ' A' ' 30' ' ' TRP . 15.3 mtp180 -65.09 -32.16 73.73 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.327 178.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 45' ' ' GLU . 95.3 t -64.09 -40.96 90.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.455 178.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 34.7 m0 -65.99 -39.94 90.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.955 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 47' ' ' LEU . 60.0 t -64.12 -47.65 89.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.534 178.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.442 ' O ' ' HB3' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -63.85 -29.68 70.85 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.778 178.2 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.492 ' HG2' ' NH2' ' A' ' 12' ' ' ARG . 6.8 tp-100 -66.59 -50.9 61.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.186 177.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.552 ' HA ' ' HB3' ' A' ' 57' ' ' ASP . 84.3 t60 -67.43 -26.31 66.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.325 178.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.442 ' HB3' ' O ' ' A' ' 52' ' ' ARG . 32.8 tt0 -58.65 -48.9 79.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.818 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 66.7 mtm-85 -76.39 -27.43 56.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.139 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.552 ' HB3' ' HA ' ' A' ' 54' ' ' HIS . 4.6 t70 -61.22 -44.92 96.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.758 175.221 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.791 HG23 ' HB2' ' A' ' 61' ' ' ASP . 17.6 m -80.38 80.42 6.82 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.286 0.565 . . . . 0.0 110.428 178.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -94.79 76.06 0.93 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.121 -177.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.98 31.35 35.46 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.132 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.791 ' HB2' HG23 ' A' ' 58' ' ' THR . 5.8 m-20 -86.71 17.3 4.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.933 0.397 . . . . 0.0 111.413 -178.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -95.05 -7.66 38.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.376 177.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 105.1 -31.92 8.05 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.352 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.28 -68.36 0.54 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.873 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 65' ' ' LEU . 3.9 mm? -105.86 83.32 1.9 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.354 0.597 . . . . 0.0 110.689 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.9 t -92.95 146.61 23.5 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.321 173.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 61.5 m -68.14 -46.02 71.98 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 177.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.598 ' HB3' ' HG3' ' A' ' 71' ' ' GLN . . . 58.15 107.2 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 O-C-N 124.056 0.847 . . . . 0.0 112.437 177.009 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.449 ' CD ' HH21 ' A' ' 72' ' ' ARG . 9.4 tp10 -65.25 -18.99 65.75 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.928 177.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 70' ' ' ARG . 24.0 mtm180 -79.86 -0.92 36.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.73 -177.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.598 ' HG3' ' HB3' ' A' ' 68' ' ' ALA . 19.0 mt-30 -75.29 2.02 12.2 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.362 178.324 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.449 HH21 ' CD ' ' A' ' 69' ' ' GLU . 49.4 mtm180 -90.81 -8.23 50.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.164 0.507 . . . . 0.0 110.155 172.555 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.9 mt -83.84 -46.52 12.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.084 177.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -118.75 139.36 51.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.795 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.479 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 1.2 mp0 -67.01 118.56 56.66 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 176.025 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 75' ' ' GLU . 21.5 Cg_exo -66.87 -29.64 41.33 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 123.093 2.529 . . . . 0.0 112.63 -177.318 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -130.72 -155.85 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.194 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.477 ' HG2' ' H ' ' A' ' 79' ' ' GLU . 32.9 ttm180 74.42 170.47 0.29 Allowed 'General case' 0 CA--C 1.532 0.278 0 O-C-N 123.899 0.749 . . . . 0.0 109.475 -175.303 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.477 ' H ' ' HG2' ' A' ' 78' ' ' ARG . 12.2 mm-40 73.37 -10.45 1.03 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.247 0.619 . . . . 0.0 111.47 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -84.06 -33.46 24.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.031 0.444 . . . . 0.0 110.605 -178.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -104.26 146.08 29.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.185 -178.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.467 ' CD ' ' H ' ' A' ' 83' ' ' LEU . 1.2 tm-20 -135.13 -179.41 5.61 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 -178.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.467 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 95.4 mt -77.56 -39.59 45.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 173.064 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.418 ' H ' ' HG3' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -81.6 153.75 26.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.279 173.064 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 67.01 93.74 0.07 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.642 0.734 . . . . 0.0 109.899 -170.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 31.1 t -138.32 167.05 22.68 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.261 -177.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -111.06 23.13 14.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.545 0.688 . . . . 0.0 110.6 -177.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -93.39 163.34 13.63 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 172.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 60.6 mt 65.73 81.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 121.547 0.689 . . . . 0.0 109.767 -171.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 98.9 mt -89.89 127.98 36.11 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.262 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -99.19 16.66 22.11 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.081 0.467 . . . . 0.0 110.431 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.2 mt -116.93 125.95 52.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.819 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -158.77 33.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.755 0.312 . . . . 0.0 110.797 -177.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.3 m -53.69 -74.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.636 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -167.83 153.91 7.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.715 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -144.55 107.0 4.38 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 174.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -91.22 -12.09 36.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.523 -172.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.17 165.2 18.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.881 0.372 . . . . 0.0 110.779 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -70.11 115.37 9.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.909 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -129.41 -156.94 0.79 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.441 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -71.66 118.3 14.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.419 178.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -85.56 102.45 13.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.799 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -145.89 151.52 37.98 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.694 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -72.28 127.44 32.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.932 0.396 . . . . 0.0 111.116 -177.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 98.2 mt -92.31 90.47 7.27 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.05 178.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -80.59 114.42 19.47 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.354 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.455 ' HD3' ' C ' ' A' ' 107' ' ' LYS . 13.1 tmtt? -100.12 131.0 46.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.724 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.442 ' N ' ' HD3' ' A' ' 107' ' ' LYS . 43.6 tttp . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.624 -0.703 . . . . 0.0 109.656 176.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.3 m -80.81 -30.2 35.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.638 -172.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -88.0 93.29 9.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.199 0.523 . . . . 0.0 111.438 -177.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -104.07 134.29 47.59 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 170.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.4 m -58.35 97.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.245 0.545 . . . . 0.0 111.689 -177.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -150.41 -32.99 0.18 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.216 178.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 63.93 176.08 0.17 Allowed 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.78 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.9 m -70.86 147.72 94.31 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.362 -177.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.47 -33.5 57.59 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 123.39 2.726 . . . . 0.0 112.426 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -52.08 -58.8 5.49 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.027 0.442 . . . . 0.0 110.822 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.5 t -70.51 -44.68 76.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.731 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.404 ' O ' HG23 ' A' ' 16' ' ' VAL . 4.5 ttp180 -62.73 -43.53 98.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.007 -175.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.481 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 72.1 mm-40 -62.8 -50.51 70.73 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.377 177.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.5 ttm-85 -56.81 -46.61 81.52 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.683 0.277 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -58.55 -58.17 9.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.471 -178.139 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.506 HG11 ' CB ' ' A' ' 54' ' ' HIS . 55.5 t -63.17 -43.13 98.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.765 -174.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 13' ' ' GLN . 56.3 mtp180 -64.9 -31.71 73.07 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.737 -178.096 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 47.1 ttp -72.14 -38.5 69.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.973 175.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 15' ' ' ALA . 84.5 t -63.1 -45.08 99.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.271 175.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 97.3 mt -63.18 -36.33 83.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.072 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -56.41 -58.2 9.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.816 177.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.5 m -79.73 -8.97 59.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.343 -177.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -68.15 -37.44 81.03 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 173.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.1 -26.73 73.24 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.661 175.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -70.78 -49.53 45.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.996 0.427 . . . . 0.0 110.591 177.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -85.71 165.47 16.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.274 0.559 . . . . 0.0 111.896 -177.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -82.64 -55.34 4.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.641 176.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.8 m -97.53 133.18 42.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.808 -176.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -60.87 -43.9 97.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.773 -175.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 52.2 p-90 -59.3 -28.43 66.77 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.334 -176.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.04 -31.31 70.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.944 0.402 . . . . 0.0 110.811 -178.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.8 m -80.42 -44.35 19.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.319 0.58 . . . . 0.0 110.501 177.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.65 HG23 HD23 ' A' ' 47' ' ' LEU . 70.8 mt -60.86 -45.85 97.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.357 -0.838 . . . . 0.0 112.14 -175.273 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.7 p -69.99 -9.55 55.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 111.75 -177.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.8 t -98.38 -13.18 20.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.995 0.426 . . . . 0.0 110.819 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.7 mt -108.62 -35.95 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 122.243 -0.285 . . . . 0.0 111.541 -176.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.72 -53.21 56.77 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 112.667 0.618 . . . . 0.0 112.667 -177.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.26 -12.67 30.24 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 121.872 1.715 . . . . 0.0 112.66 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -82.99 -36.64 24.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.524 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 68.0 mt -83.76 -52.13 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.499 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.46 47.1 0.11 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.956 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.3 p -146.9 171.65 14.89 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.0 p -87.75 158.84 50.3 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.527 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 51.6 Cg_exo -54.01 -34.51 77.52 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.487 2.125 . . . . 0.0 111.322 175.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.478 ' O ' HG23 ' A' ' 49' ' ' VAL . 32.4 tt0 -65.74 -52.02 54.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.473 177.092 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.9 m -56.44 -42.13 77.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.527 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.65 HD23 HG23 ' A' ' 33' ' ' ILE . 26.9 tp -68.67 -37.1 79.34 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.708 -179.4 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.633 ' HG2' HD13 ' A' ' 33' ' ' ILE . 10.7 mtp180 -61.17 -40.59 94.48 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.758 0.313 . . . . 0.0 110.251 175.083 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 45' ' ' GLU . 84.5 t -60.45 -44.16 95.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.724 178.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 42.9 m0 -63.31 -43.14 98.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.57 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 47' ' ' LEU . 58.0 t -63.74 -46.21 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.859 0.362 . . . . 0.0 110.227 177.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -60.55 -39.06 86.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.331 178.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -68.27 -33.89 75.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.179 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.506 ' CB ' HG11 ' A' ' 16' ' ' VAL . 11.0 t-80 -63.91 -43.2 96.64 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.71 -36.18 82.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.377 0.608 . . . . 0.0 110.102 175.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -59.75 -36.27 76.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.927 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -96.05 -30.66 13.44 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -177.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.9 m -105.61 -10.46 16.81 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -171.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.49 106.33 1.65 Allowed Glycine 0 CA--C 1.518 0.247 0 C-N-CA 120.716 -0.755 . . . . 0.0 113.064 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 165.55 105.27 0.19 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.325 178.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -93.9 -56.23 2.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.835 0.35 . . . . 0.0 110.734 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.3 t70 73.17 -74.99 0.08 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.344 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 146.2 53.9 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 119.646 -1.264 . . . . 0.0 114.448 175.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.8 -70.48 1.73 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 114.818 0.687 . . . . 0.0 114.818 169.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.5 mp -66.11 96.21 0.32 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.077 0.465 . . . . 0.0 111.961 -172.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.7 t -171.32 162.31 6.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.392 177.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.2 m -83.6 82.65 8.21 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.224 0.535 . . . . 0.0 109.869 177.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -166.26 -172.9 2.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.587 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 61.41 26.91 16.61 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.233 0.539 . . . . 0.0 110.25 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.33 35.5 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.757 -174.397 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -83.45 73.03 10.22 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.18 0.514 . . . . 0.0 111.128 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -109.97 127.11 54.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.741 175.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.9 mp -79.5 -6.07 56.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.078 -177.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -93.74 41.05 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.456 0.646 . . . . 0.0 110.067 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -75.69 151.88 84.91 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.119 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.75 113.77 1.4 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.803 2.335 . . . . 0.0 111.728 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -160.19 -45.54 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.176 -175.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -97.03 -15.37 21.07 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.895 -177.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.475 ' HB3' ' HB3' ' A' ' 82' ' ' GLU . 7.1 mp0 -77.42 72.9 3.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.624 -178.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -90.6 -52.38 4.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.953 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 81' ' ' ARG . 42.6 mtp180 -87.55 -18.1 30.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.229 177.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.475 ' HB3' ' HB3' ' A' ' 79' ' ' GLU . 14.1 tp10 -76.32 101.16 5.38 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 175.221 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 30.1 tp -126.56 -27.09 3.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.672 -170.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 68.2 -79.55 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.407 0.683 . . . . 0.0 111.868 -178.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 50.5 mtm-85 65.93 -178.19 0.19 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.572 0.749 . . . . 0.0 110.653 -172.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.9 m -100.3 95.01 6.49 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.946 0.403 . . . . 0.0 110.619 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -157.88 172.72 17.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.089 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -79.69 104.11 10.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.67 0.748 . . . . 0.0 110.132 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.8 tt -89.83 101.61 12.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.328 -177.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.0 tt -125.04 96.38 4.84 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 173.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -65.68 -32.79 74.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.809 -170.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 49.4 tp -73.73 78.81 1.55 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.297 0.57 . . . . 0.0 110.327 177.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -111.4 8.47 21.26 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.987 177.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.2 m -61.17 -64.01 1.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.431 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -173.33 -70.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.024 177.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.493 ' CE2' ' HB2' ' A' ' 98' ' ' ALA . 47.2 p90 -158.24 157.73 33.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.018 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -84.05 97.8 9.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.725 0.774 . . . . 0.0 111.131 -177.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.493 ' HB2' ' CE2' ' A' ' 96' ' ' TYR . . . -103.1 163.7 12.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.324 178.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -79.82 92.15 5.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.927 0.394 . . . . 0.0 110.658 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 69.81 121.13 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.61 176.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -74.17 -47.78 33.52 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.209 173.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -125.93 91.64 3.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.895 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -71.99 -40.89 68.25 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 172.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.78 168.5 26.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.684 -1.144 . . . . 0.0 108.466 175.107 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 60.6 mt -80.66 38.01 0.43 Allowed 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.592 0.589 . . . . 0.0 112.592 -172.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 55.71 82.37 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 123.81 0.844 . . . . 0.0 112.693 172.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -128.78 -48.99 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 173.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 55.8 pttt . . . . . 0 C--O 1.245 0.816 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.426 172.371 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.4 mtt . . . . . 0 N--CA 1.481 1.082 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 55.5 m -61.6 114.61 3.36 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.312 0.577 . . . . 0.0 111.692 -176.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -116.07 -160.84 0.77 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.103 177.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -94.75 64.18 2.91 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 173.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.7 m -65.4 137.31 57.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.043 -176.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.6 ptp85 -69.72 131.15 44.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.172 0.511 . . . . 0.0 110.651 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -98.14 135.7 39.42 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.715 178.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.516 ' HB2' HG23 ' A' ' 11' ' ' VAL . 12.7 m -56.25 134.48 75.46 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.281 178.093 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.26 -34.88 81.48 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.204 2.603 . . . . 0.0 112.43 -177.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -65.07 -40.63 94.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.907 178.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.516 HG23 ' HB2' ' A' ' 8' ' ' SER . 58.2 t -65.99 -42.5 91.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.971 0.415 . . . . 0.0 110.051 178.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.547 ' O ' HG23 ' A' ' 16' ' ' VAL . 46.8 mtp180 -62.4 -39.68 94.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.038 176.024 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -67.53 -39.09 85.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.914 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -56.42 -43.26 79.2 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.436 175.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.487 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -60.76 -53.74 53.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.565 176.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.582 ' HA ' HG22 ' A' ' 51' ' ' VAL . 60.8 t -55.68 -51.21 61.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.157 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 17' ' ' ARG . 26.4 ttt180 -59.66 -53.37 58.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.257 -178.296 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 30.5 ttp -60.91 -32.39 71.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.162 -173.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.504 ' O ' ' HB2' ' A' ' 23' ' ' GLN . 74.1 t -65.47 -49.54 77.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 121.136 -0.226 . . . . 0.0 110.685 176.239 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.6 mt -68.65 -41.81 78.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.286 0.565 . . . . 0.0 110.737 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -59.01 -46.17 88.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.466 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.5 m -80.47 -12.16 59.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.59 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.504 ' HB2' ' O ' ' A' ' 19' ' ' VAL . 42.5 tt0 -78.67 -15.76 58.1 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 176.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.1 -24.91 73.39 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.311 -0.947 . . . . 0.0 110.922 167.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -93.31 -47.79 6.74 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -91.75 121.96 33.87 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.576 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -69.54 -31.6 69.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.016 -178.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.4 m -101.12 117.68 35.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.884 0.373 . . . . 0.0 110.494 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -61.55 -38.1 86.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.229 -175.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 41.8 p-90 -62.06 -30.45 70.99 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.688 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.47 -34.29 72.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.097 0.475 . . . . 0.0 110.168 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.8 m -69.21 -43.44 74.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.044 177.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.681 HG23 HD23 ' A' ' 47' ' ' LEU . 76.7 mt -60.7 -45.68 97.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.047 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 83.7 m -65.53 -25.4 67.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.862 -176.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.0 p -92.87 -25.89 17.88 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -177.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.411 ' O ' ' HB2' ' A' ' 39' ' ' LYS . 59.3 mt -89.66 -28.53 5.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.563 -178.198 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.442 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -52.74 -51.97 68.81 Favored Pre-proline 0 CA--C 1.541 0.616 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.442 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 51.3 Cg_endo -69.14 -8.04 22.52 Favored 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 122.067 1.844 . . . . 0.0 112.881 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 36' ' ' ILE . 72.1 mmtt -84.4 -36.78 22.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.263 0.554 . . . . 0.0 109.946 175.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 65.4 mt -79.34 -39.89 21.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.118 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.26 39.43 5.1 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -177.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 79.1 m -145.95 176.45 9.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.57 -0.315 . . . . 0.0 110.216 -178.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.673 ' HB ' ' HG2' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -74.66 135.99 74.58 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.574 -179.5 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 43' ' ' THR . 36.2 Cg_exo -57.19 -35.69 98.95 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.957 2.438 . . . . 0.0 112.056 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.673 ' HG2' ' HB ' ' A' ' 43' ' ' THR . 14.4 pt-20 -57.37 -42.88 82.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.037 177.105 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 m -67.68 -36.28 80.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.078 0.466 . . . . 0.0 110.502 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.681 HD23 HG23 ' A' ' 33' ' ' ILE . 52.3 tp -59.34 -44.24 92.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.457 177.146 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.0 ttt85 -65.64 -34.89 79.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.684 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 45' ' ' GLU . 87.2 t -62.58 -45.16 99.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.817 177.557 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.5 ' CE3' ' HA ' ' A' ' 47' ' ' LEU . 19.1 m0 -57.27 -47.9 80.25 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.734 0.302 . . . . 0.0 111.059 179.278 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.582 HG22 ' HA ' ' A' ' 16' ' ' VAL . 57.9 t -60.51 -47.68 91.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.528 179.146 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 52' ' ' ARG . 46.0 ttt180 -61.45 -48.34 81.58 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.666 -177.357 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -65.09 -33.87 77.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.738 -178.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.405 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 37.7 t60 -68.88 -27.93 66.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.336 179.102 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.561 ' HG3' ' O ' ' A' ' 51' ' ' VAL . 50.0 mt-10 -65.49 -36.19 83.14 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 174.061 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.7 mtp85 -66.81 -34.02 76.89 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.846 175.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 54' ' ' HIS . 8.8 m-20 -58.81 -45.44 89.94 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.969 0.414 . . . . 0.0 110.201 173.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.4 m -66.33 -26.97 67.54 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.028 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.2 -51.84 25.74 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.208 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 83.96 -88.85 1.54 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.119 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -166.03 -167.62 1.1 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 -179.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -102.68 15.51 29.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.835 0.35 . . . . 0.0 110.759 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -84.16 37.2 2.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.793 -177.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.9 76.2 1.06 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.844 -0.694 . . . . 0.0 111.619 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.1 mp -70.07 109.27 4.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.994 0.426 . . . . 0.0 110.463 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.2 t -96.26 3.18 53.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.317 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.1 m -63.89 134.83 55.89 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.871 176.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.451 ' HA ' ' OE1' ' A' ' 71' ' ' GLN . . . -69.84 66.17 0.24 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.283 0.563 . . . . 0.0 111.593 -178.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -107.15 -54.8 2.42 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 177.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.416 ' NE ' ' HA ' ' A' ' 70' ' ' ARG . 4.9 mmp_? -65.72 -21.53 66.53 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.758 177.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.451 ' OE1' ' HA ' ' A' ' 68' ' ' ALA . 2.4 mp0 -66.56 97.17 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.823 176.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -90.05 133.2 34.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.979 0.419 . . . . 0.0 111.241 -176.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.717 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.5 pt? -83.2 156.31 23.26 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 175.103 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 95.2 mttt 65.0 31.87 10.9 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.147 0.498 . . . . 0.0 110.292 -177.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -79.18 118.58 73.25 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.573 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.03 1.57 8.07 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.898 2.399 . . . . 0.0 112.913 -177.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.46 91.14 7.76 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.079 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 78' ' ' ARG . 35.9 ttt180 -81.9 -54.7 5.12 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.262 -179.155 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -157.54 104.38 1.99 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.835 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.736 ' HB2' ' HA ' ' A' ' 84' ' ' ARG . 5.9 p30 -67.22 119.56 12.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.18 0.514 . . . . 0.0 110.328 178.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.421 ' HB3' ' H ' ' A' ' 82' ' ' GLU . 26.2 ttm180 -94.33 -94.56 0.17 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.962 -174.16 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.421 ' H ' ' HB3' ' A' ' 81' ' ' ARG . 10.2 mm-40 -93.04 -63.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.917 0.389 . . . . 0.0 111.222 -174.556 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.09 -6.0 42.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.2 -176.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.736 ' HA ' ' HB2' ' A' ' 80' ' ' ASN . 10.6 ttm180 73.42 -33.56 0.27 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.69 0.796 . . . . 0.0 111.159 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -101.87 86.16 2.85 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 165.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.1 m -112.09 -168.26 1.29 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.013 -171.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 49.46 -177.42 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.536 1.134 . . . . 0.0 112.991 -179.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -132.01 171.73 13.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.544 175.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 36.7 mm -79.64 80.08 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 175.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.1 mt -128.33 93.36 3.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.145 -177.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -138.05 27.36 2.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.779 174.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.2 mp -77.17 98.62 5.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.699 -178.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.87 -13.01 60.03 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.487 0.661 . . . . 0.0 110.15 175.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.8 m -155.43 168.69 26.26 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.115 -0.948 . . . . 0.0 108.477 176.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.17 78.44 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.062 0.458 . . . . 0.0 111.339 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -145.5 -168.24 2.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.01 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -97.49 163.91 12.66 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.193 178.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.22 -19.2 61.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.472 -178.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -77.11 89.89 3.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.389 0.614 . . . . 0.0 110.636 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -141.65 151.38 43.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.641 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -115.43 15.92 16.72 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.281 0.562 . . . . 0.0 109.653 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -109.09 22.35 16.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.428 -173.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -45.29 93.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.394 0.616 . . . . 0.0 110.247 177.425 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 104' ' ' ARG . 19.3 mtp180 -128.73 160.03 33.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.287 178.31 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 44.0 tp -88.29 -26.31 22.35 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 176.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 35.8 t90 -87.26 87.38 7.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.596 176.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -96.92 -65.94 0.93 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.422 -0.808 . . . . 0.0 108.978 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 57.4 pttt . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.684 -0.674 . . . . 0.0 109.483 171.301 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.843 0.354 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.7 m -88.0 104.02 16.25 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.054 0.454 . . . . 0.0 111.701 -173.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -112.66 -65.54 1.17 Allowed 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 169.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -177.02 116.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.623 173.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.6 m -62.97 122.17 15.35 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.99 99.61 2.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.134 0.492 . . . . 0.0 111.906 -173.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -123.86 143.37 50.39 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 169.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.401 ' HB2' HG23 ' A' ' 11' ' ' VAL . 16.2 m -73.62 118.65 70.79 Favored Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.18 -43.29 43.57 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 123.229 2.619 . . . . 0.0 112.603 -177.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -61.14 -40.01 92.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.401 HG23 ' HB2' ' A' ' 8' ' ' SER . 58.2 t -69.05 -47.03 77.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.508 -178.27 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -64.56 -43.71 93.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -62.44 -44.14 97.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.265 178.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 14' ' ' ARG . 34.6 ttt180 -60.46 -41.63 94.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.665 179.314 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.545 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -59.93 -56.79 17.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.899 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.416 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 62.8 t -58.85 -43.18 87.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.606 -179.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.475 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 60.9 ttm-85 -59.02 -49.91 76.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.802 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 40.6 ttp -66.0 -31.53 72.48 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.085 -177.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 15' ' ' ALA . 78.3 t -61.91 -46.98 95.3 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.747 0.308 . . . . 0.0 110.291 175.292 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 76.5 mt -63.63 -43.22 97.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.254 178.474 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 17' ' ' ARG . 16.0 mm-40 -56.29 -42.75 78.01 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.168 177.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.475 ' HB2' HG23 ' A' ' 32' ' ' THR . 16.0 m -78.29 -31.44 48.95 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.961 -178.234 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -63.55 -20.45 65.64 Favored 'General case' 0 C--O 1.226 -0.137 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 177.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.05 -8.87 18.78 Favored Glycine 0 CA--C 1.525 0.684 0 CA-C-N 115.719 -0.673 . . . . 0.0 113.406 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -124.12 -30.77 3.43 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 117.18 0.49 . . . . 0.0 110.608 174.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.456 ' HD2' ' O ' ' A' ' 22' ' ' SER . 59.7 m-85 -73.1 156.39 38.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.952 0.406 . . . . 0.0 110.957 178.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -84.86 -26.05 27.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.198 0.523 . . . . 0.0 110.63 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.549 ' HB2' ' HE3' ' A' ' 30' ' ' TRP . 6.1 p -138.86 143.91 38.99 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.07 -176.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.438 HE22 HG11 ' A' ' 51' ' ' VAL . 51.2 tt0 -59.87 -36.67 77.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.777 177.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.549 ' HE3' ' HB2' ' A' ' 28' ' ' SER . 27.2 m-90 -62.43 -39.9 94.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.127 -177.038 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.96 -38.33 90.66 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.039 0.447 . . . . 0.0 110.345 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.475 HG23 ' HB2' ' A' ' 22' ' ' SER . 24.0 m -64.1 -48.34 76.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.713 176.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.695 HG23 HD23 ' A' ' 47' ' ' LEU . 80.9 mt -57.1 -43.2 80.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.41 -178.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 63.2 m -66.22 -17.17 64.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.796 -178.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.2 m -98.55 -36.77 9.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.028 0.442 . . . . 0.0 111.071 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.5 mm -80.44 -38.39 17.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.798 -175.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.568 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -55.22 -51.43 79.79 Favored Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -176.491 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.568 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 16.7 Cg_exo -68.36 -25.96 35.55 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 121.974 1.783 . . . . 0.0 112.116 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -68.38 -44.1 75.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.367 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.6 mt -81.06 -38.13 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.041 0.448 . . . . 0.0 110.724 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.74 53.08 0.93 Allowed Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -177.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.8 p -146.26 153.33 40.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.71 0.291 . . . . 0.0 110.878 -176.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.505 ' HB ' ' OG1' ' A' ' 46' ' ' THR . 43.8 m -64.71 130.41 94.75 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.373 176.486 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.51 -41.66 71.68 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.831 2.354 . . . . 0.0 112.573 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.543 ' O ' HG23 ' A' ' 49' ' ' VAL . 45.9 mt-10 -67.09 -32.79 74.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.505 ' OG1' ' HB ' ' A' ' 43' ' ' THR . 19.2 m -67.79 -37.35 81.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.144 0.497 . . . . 0.0 110.279 176.446 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.695 HD23 HG23 ' A' ' 33' ' ' ILE . 46.9 tp -62.17 -38.0 87.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.817 176.603 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -60.06 -44.4 94.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.137 174.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 45' ' ' GLU . 49.7 t -60.06 -41.63 87.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.64 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 53.0 m0 -62.12 -43.95 97.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.438 HG11 HE22 ' A' ' 29' ' ' GLN . 56.1 t -67.37 -41.29 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.19 177.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.1 ttm-85 -59.66 -49.89 75.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.54 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.31 -47.27 86.03 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -56.57 -40.49 75.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.384 -178.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -84.94 -41.58 15.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.572 -175.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -63.82 -42.68 97.59 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.842 0.353 . . . . 0.0 111.894 -178.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -75.17 -21.0 59.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -175.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 58.1 m -85.44 104.55 15.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.951 0.405 . . . . 0.0 110.286 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.69 161.81 45.85 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.356 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -131.14 -14.97 1.73 Allowed Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.961 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -76.82 0.34 21.08 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.761 0.315 . . . . 0.0 111.034 -178.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -78.45 -8.04 58.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.831 0.348 . . . . 0.0 110.331 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.61 82.1 1.22 Allowed Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.013 177.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -74.9 118.37 5.65 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.1 mp 69.53 118.93 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.437 0.637 . . . . 0.0 111.512 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.77 -22.34 20.22 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.162 0.506 . . . . 0.0 110.052 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.6 t -72.09 -24.55 61.52 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.611 -176.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -101.57 80.37 2.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.153 0.502 . . . . 0.0 110.756 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -94.22 153.36 18.1 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.169 -177.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.3 ttp85 58.0 9.17 0.87 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 114.551 -1.204 . . . . 0.0 111.873 -177.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -81.28 -13.18 58.73 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 173.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -112.9 139.38 48.59 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.313 177.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.72 105.59 8.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.926 0.394 . . . . 0.0 110.765 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 53.0 tttm -102.03 73.94 1.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.21 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 17.7 mm-40 -167.99 129.55 1.2 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.222 177.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 75' ' ' GLU . 24.3 Cg_exo -64.41 -41.1 21.72 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.272 1.982 . . . . 0.0 111.242 173.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -98.79 106.24 18.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.408 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.426 ' HD3' ' HA ' ' A' ' 78' ' ' ARG . 3.1 mmt-85 -136.4 -65.79 0.56 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.107 177.04 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -139.31 123.75 18.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.273 -177.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -125.64 141.44 52.02 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 176.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -86.8 145.63 26.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.865 0.364 . . . . 0.0 110.231 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -67.33 149.08 50.82 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.686 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 93.5 mt -71.58 -40.79 69.69 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 175.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 0.6 OUTLIER -92.31 83.1 4.98 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.709 172.174 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.503 ' C ' ' HD3' ' A' ' 85' ' ' ARG . 3.2 tmt_? -80.4 -67.46 0.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.871 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.9 m -103.64 -22.72 13.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.497 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' A' ' 84' ' ' ARG . 83.1 m-20 -97.51 162.07 13.48 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.331 -177.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -117.74 -21.53 8.42 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 173.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 64.1 mt -94.58 107.24 19.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.006 176.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.8 mt -99.24 -47.38 5.21 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 -100.87 126.62 47.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.124 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.405 ' N ' HD12 ' A' ' 92' ' ' LEU . 7.1 mp -83.46 -32.51 25.99 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 177.372 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -150.89 158.02 43.62 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.22 177.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.6 m -114.17 34.85 4.44 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.254 0.549 . . . . 0.0 109.641 175.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.73 117.04 22.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.022 -177.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -85.49 112.63 21.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.706 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -63.78 -62.13 1.85 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.986 -174.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 57.23 67.8 0.94 Allowed 'General case' 0 C--O 1.232 0.182 0 O-C-N 123.618 0.574 . . . . 0.0 110.352 -175.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -179.0 -23.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.353 -173.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -103.63 -171.49 1.95 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.682 -171.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -75.31 -26.26 58.52 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.068 -178.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -81.54 -27.94 34.17 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -170.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.409 ' O ' ' HB3' ' A' ' 104' ' ' ARG . 1.0 OUTLIER -77.99 -76.26 0.19 Allowed 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.738 179.28 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.409 ' HB3' ' O ' ' A' ' 103' ' ' ASP . 19.1 ptp180 176.16 -16.27 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.141 0.276 . . . . 0.0 111.422 178.114 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 45.4 mt -80.6 -1.79 43.65 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -171.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 16.0 t-105 -84.5 90.7 7.69 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 172.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -110.87 -31.39 7.18 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.539 -174.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 49.6 tttm . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.44 -0.791 . . . . 0.0 110.539 -174.36 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 56.5 m 68.3 82.87 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.503 0.668 . . . . 0.0 111.093 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -138.17 -72.13 0.42 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 174.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -167.01 117.97 0.9 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.602 -1.181 . . . . 0.0 109.09 175.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.9 m -73.36 101.26 3.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.276 0.56 . . . . 0.0 111.478 -175.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 58.4 mtp85 -86.64 144.06 27.33 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.019 173.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -62.02 111.98 2.15 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 177.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.2 m -55.52 126.09 62.17 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.393 179.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -49.11 -57.42 2.37 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.253 2.635 . . . . 0.0 112.807 -175.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -61.27 -47.68 84.91 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.263 -177.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 87.3 t -57.41 -47.51 84.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.864 0.364 . . . . 0.0 111.189 -178.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 52.3 ttp180 -61.99 -49.83 74.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.268 0.556 . . . . 0.0 111.374 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -79.62 -27.7 41.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.825 -172.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -74.5 -30.85 61.97 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 175.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.585 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -59.88 -50.64 72.99 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.724 174.425 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.464 HG13 HG22 ' A' ' 51' ' ' VAL . 54.6 t -61.13 -38.25 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.619 176.301 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.1 tpp85 -60.4 -42.95 97.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.357 177.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -73.98 -25.0 59.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.41 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 15' ' ' ALA . 79.7 t -60.29 -40.17 83.02 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 171.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.7 mt -68.67 -40.44 80.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.43 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -60.67 -37.1 80.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.928 177.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.9 m -82.39 -17.71 44.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.952 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -66.99 -32.74 74.18 Favored 'General case' 0 CA--C 1.522 -0.118 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 176.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.2 48.96 2.87 Favored Glycine 0 C--N 1.33 0.204 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.361 175.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -165.96 -57.32 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -73.22 149.41 42.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.237 177.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -82.35 -18.02 43.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.429 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.7 p -132.55 127.81 35.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.366 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.472 ' O ' HG12 ' A' ' 33' ' ' ILE . 29.1 tt0 -68.29 -26.78 65.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.608 -178.219 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 6.9 m-90 -63.28 -35.52 80.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.723 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.11 -39.99 82.64 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.178 0.513 . . . . 0.0 109.967 177.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.6 m -57.91 -46.14 85.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.627 175.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 29' ' ' GLN . 47.6 mm -56.71 -48.21 81.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.663 178.003 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 59.5 m -71.92 -7.32 47.84 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.947 -176.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.0 m -98.05 -33.24 11.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.014 0.435 . . . . 0.0 110.935 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.534 HD12 HG22 ' A' ' 19' ' ' VAL . 69.1 mt -87.92 -31.68 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.485 -176.265 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.28 -53.81 59.73 Favored Pre-proline 0 CA--C 1.539 0.552 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -68.39 -18.48 44.03 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.777 1.651 . . . . 0.0 112.324 178.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -71.52 -53.37 14.09 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.3 mt -72.57 -34.82 49.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.27 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.23 50.7 1.69 Allowed Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -178.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.0 p -141.56 172.06 13.2 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.894 0.378 . . . . 0.0 110.594 -178.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.5 m -79.02 128.83 75.04 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.717 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.86 -37.46 95.8 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.131 2.554 . . . . 0.0 112.275 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.596 ' O ' HG23 ' A' ' 49' ' ' VAL . 40.7 mt-10 -57.06 -46.49 82.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.601 177.335 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.0 m -63.73 -38.1 89.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.962 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.442 ' O ' HG23 ' A' ' 51' ' ' VAL . 44.1 tp -63.76 -40.33 96.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.783 177.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 48' ' ' ARG . 15.5 tpt180 -66.49 -35.49 80.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.342 175.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 45' ' ' GLU . 70.3 t -59.48 -45.35 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.829 177.13 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 50.0 m0 -61.72 -39.12 90.39 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 120.966 0.412 . . . . 0.0 110.766 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.464 HG22 HG13 ' A' ' 16' ' ' VAL . 57.5 t -67.64 -50.05 64.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.472 177.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.441 ' HA ' ' HB2' ' A' ' 55' ' ' GLU . 40.0 ttm180 -65.4 -32.09 73.54 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.759 0.314 . . . . 0.0 110.95 -178.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -61.1 -41.75 97.24 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.556 ' HA ' ' HB3' ' A' ' 57' ' ' ASP . 40.3 m80 -76.94 -26.02 53.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.049 0.452 . . . . 0.0 110.722 176.428 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.441 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 19.1 tt0 -61.54 -31.98 72.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.674 176.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.0 ttm-85 -92.44 -32.0 15.07 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.901 173.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.556 ' HB3' ' HA ' ' A' ' 54' ' ' HIS . 31.2 t70 -62.91 -28.51 70.1 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.035 -0.529 . . . . 0.0 112.027 -173.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.4 t -60.96 100.47 0.11 Allowed 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.867 0.842 . . . . 0.0 110.077 175.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 115.14 -110.01 2.21 Favored Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 -172.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 57.13 -103.54 0.3 Allowed Glycine 0 C--N 1.331 0.293 0 C-N-CA 121.496 -0.383 . . . . 0.0 113.676 173.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -126.19 138.72 53.67 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -85.73 86.88 7.35 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.192 0.52 . . . . 0.0 112.252 -171.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.27 10.07 51.34 Favored Glycine 0 CA--C 1.52 0.374 0 CA-C-N 115.411 -0.813 . . . . 0.0 114.407 170.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.53 6.13 83.82 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.357 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.9 tp -120.54 101.24 7.63 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.197 0.522 . . . . 0.0 110.23 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.5 m -120.11 34.28 5.28 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.45 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.7 m 63.75 82.03 0.19 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.214 -176.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -172.08 -61.82 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.595 -175.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -149.31 124.9 10.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.053 0.454 . . . . 0.0 111.453 -178.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -79.39 109.88 14.16 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 170.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -58.53 111.22 1.17 Allowed 'General case' 0 C--N 1.327 -0.381 0 O-C-N 123.519 0.512 . . . . 0.0 111.799 -170.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 37.0 ttm-85 -134.42 99.3 4.33 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.774 177.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.48 HD21 ' HB3' ' A' ' 76' ' ' PRO . 4.8 tt -149.52 97.87 2.69 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.537 174.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -115.73 117.4 30.14 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 176.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 60.63 84.81 0.19 Allowed Pre-proline 0 CA--C 1.533 0.294 0 O-C-N 123.931 0.769 . . . . 0.0 110.462 -175.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.48 ' HB3' HD21 ' A' ' 73' ' ' LEU . 61.3 Cg_endo -72.27 -171.83 0.78 Allowed 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 123.13 2.553 . . . . 0.0 113.252 -176.158 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' A' ' 77' ' ' GLU . 0.9 OUTLIER -83.64 73.23 10.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.716 0.77 . . . . 0.0 111.21 -177.253 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.6 tpp85 -91.36 79.75 5.58 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 174.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -99.8 -84.45 0.42 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.238 -166.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -96.65 106.81 19.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.982 0.42 . . . . 0.0 111.662 -172.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -103.6 -11.17 17.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.286 175.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -88.1 76.12 8.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.736 -175.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 95.7 mt -82.09 78.71 8.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.871 177.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 84' ' ' ARG . 5.2 ptp85 -162.07 77.05 0.5 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.367 -175.533 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -85.72 65.98 9.41 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.681 0.753 . . . . 0.0 109.615 -178.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.8 t -153.81 112.18 3.61 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.547 -177.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -86.17 76.24 9.77 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.973 0.416 . . . . 0.0 110.103 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.15 120.83 15.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.889 177.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 35.8 pt -104.5 168.23 2.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.58 -175.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.6 mp -126.07 -179.28 4.63 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.38 -0.827 . . . . 0.0 108.874 174.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -76.89 141.86 40.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.755 0.312 . . . . 0.0 110.717 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.444 ' O ' HD12 ' A' ' 92' ' ' LEU . 3.7 pp -75.4 134.69 40.86 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 175.073 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 66.9 161.66 0.16 Allowed 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.863 0.727 . . . . 0.0 110.884 -172.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 55.9 m 64.44 87.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.58 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.61 148.28 49.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.905 175.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -80.58 -82.28 0.12 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 67.1 t80 177.92 138.67 0.08 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.32 99.15 3.4 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 174.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -82.98 -15.32 51.68 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.471 -172.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.49 -26.32 68.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.648 177.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.419 ' OE2' ' HA ' ' A' ' 104' ' ' ARG . 9.1 pt-20 -111.76 123.78 50.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.405 179.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -65.1 -30.48 71.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.244 0.545 . . . . 0.0 110.343 177.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -147.05 150.71 35.62 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 177.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.419 ' HA ' ' OE2' ' A' ' 101' ' ' GLU . 45.3 ttt180 -65.25 117.51 7.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.76 0.314 . . . . 0.0 111.273 -173.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.547 ' H ' HD23 ' A' ' 105' ' ' LEU . 2.7 pt? -74.51 142.45 44.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.992 177.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 18.6 m-90 -85.26 106.7 16.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.971 0.415 . . . . 0.0 109.955 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -68.68 -33.18 73.53 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.853 -178.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.541 -0.742 . . . . 0.0 110.417 179.015 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 120.347 0.118 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.4 m 72.94 -48.22 0.68 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 122.836 0.454 . . . . 0.0 111.672 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -75.87 81.34 2.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.01 0.433 . . . . 0.0 110.759 177.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -92.34 -34.3 14.25 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.434 0.635 . . . . 0.0 109.4 176.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.2 t -100.85 162.32 12.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.668 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -152.51 122.2 6.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.618 0.247 . . . . 0.0 110.382 -178.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -85.28 84.33 7.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.387 0.613 . . . . 0.0 110.261 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.5 t -75.99 147.85 80.91 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.634 178.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.58 -21.04 29.4 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.9 2.4 . . . . 0.0 111.729 174.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.563 ' O ' ' HG3' ' A' ' 14' ' ' ARG . 33.1 mt-10 -61.94 -34.15 75.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.535 176.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 63.6 t -65.86 -41.13 89.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.003 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.422 ' O ' HG23 ' A' ' 16' ' ' VAL . 44.8 ttp180 -62.61 -40.77 98.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.04 176.266 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.422 ' HA ' ' OE1' ' A' ' 13' ' ' GLN . 6.0 tp60 -66.17 -41.89 89.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.534 -179.306 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.563 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 95.3 mtt180 -57.32 -47.24 82.06 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-O 121.1 0.476 . . . . 0.0 109.8 175.254 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -55.58 -50.46 70.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.657 -177.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.543 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 69.2 t -56.95 -44.27 82.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.712 -179.418 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.4 ttp85 -65.04 -43.75 91.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.579 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.491 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 66.8 mtt -61.42 -42.24 98.43 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.569 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.8 t -60.07 -46.37 94.4 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.269 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.524 177.54 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 84.5 mt -62.44 -48.58 79.06 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.754 0.311 . . . . 0.0 111.173 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -62.07 -44.37 96.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.881 -178.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.554 ' HB2' HG23 ' A' ' 32' ' ' THR . 18.2 m -73.62 -25.01 60.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -64.83 -30.17 71.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.108 0.48 . . . . 0.0 109.988 176.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.06 -8.39 86.88 Favored Glycine 0 CA--C 1.522 0.499 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.224 175.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -99.59 -55.07 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.941 0.4 . . . . 0.0 110.546 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -73.68 163.09 28.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.649 -176.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -87.43 -8.08 56.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.857 176.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.4 t -138.52 132.62 31.48 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.0 -176.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.408 ' O ' ' HB ' ' A' ' 32' ' ' THR . 45.3 tt0 -70.58 -27.85 64.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.586 0.708 . . . . 0.0 109.11 174.426 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.427 ' CD1' ' N ' ' A' ' 30' ' ' TRP . 5.5 m0 -65.0 -51.17 63.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.29 178.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.0 -29.08 70.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.713 177.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.573 ' O ' HG12 ' A' ' 36' ' ' ILE . 92.5 m -62.34 -54.99 32.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.354 176.256 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.505 HG23 ' HB2' ' A' ' 47' ' ' LEU . 58.6 mt -56.82 -40.73 73.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 120.99 0.424 . . . . 0.0 110.845 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.5 t -61.06 -28.11 68.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.96 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.425 ' O ' ' HD2' ' A' ' 38' ' ' PRO . 21.0 m -95.39 -17.35 21.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.617 -176.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.573 HG12 ' O ' ' A' ' 32' ' ' THR . 49.5 mm -83.5 -24.11 8.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.24 0.543 . . . . 0.0 110.564 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.587 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -54.48 -53.18 62.59 Favored Pre-proline 0 CA--C 1.54 0.588 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.738 177.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.587 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 2.3 Cg_endo -82.22 8.04 4.74 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.374 2.049 . . . . 0.0 112.222 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 36' ' ' ILE . 27.5 tptp -90.23 -29.2 18.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.211 178.297 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.1 mt -110.79 -41.38 4.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.418 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.16 35.36 1.03 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.741 -0.743 . . . . 0.0 111.447 -175.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 66.0 m -129.56 174.48 9.62 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.3 p -91.84 157.52 41.34 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.477 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 14.5 Cg_endo -58.07 -24.54 66.48 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.614 2.209 . . . . 0.0 111.954 178.146 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -64.45 -44.68 90.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.275 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.5 m -61.6 -42.95 99.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.229 -176.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.505 ' HB2' HG23 ' A' ' 33' ' ' ILE . 3.7 mm? -61.11 -42.31 98.3 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.193 -179.5 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 44' ' ' PRO . 54.6 mtt180 -57.42 -46.83 83.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.77 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.629 HG12 HE21 ' A' ' 53' ' ' GLN . 30.9 t -65.55 -42.25 92.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.625 -179.04 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 35.6 m0 -61.3 -41.93 97.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.694 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 47' ' ' LEU . 94.9 t -62.69 -45.11 99.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.744 0.307 . . . . 0.0 110.542 178.186 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.406 ' O ' ' HB3' ' A' ' 55' ' ' GLU . 34.9 ttt180 -66.08 -32.09 73.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.809 -179.084 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.629 HE21 HG12 ' A' ' 49' ' ' VAL . 76.4 mt-30 -66.56 -35.11 79.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.614 176.322 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.505 ' O ' ' HB3' ' A' ' 57' ' ' ASP . 46.5 t-80 -73.06 -26.27 61.22 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 176.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.406 ' HB3' ' O ' ' A' ' 52' ' ' ARG . 33.7 tt0 -64.38 -46.92 81.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.811 175.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.41 ' HE ' ' HB3' ' A' ' 56' ' ' ARG . 12.0 mtp180 -69.02 -24.31 64.18 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.586 178.332 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.505 ' HB3' ' O ' ' A' ' 54' ' ' HIS . 8.4 t70 -51.68 -45.87 63.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.932 0.396 . . . . 0.0 111.422 178.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.0 m -100.51 -34.23 10.01 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.32 -86.64 0.48 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.926 -178.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -82.92 70.01 3.27 Favored Glycine 0 C--O 1.236 0.233 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.642 -177.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -69.28 -36.54 77.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.85 0.357 . . . . 0.0 110.084 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 65.28 67.83 0.51 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.776 177.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -98.62 141.65 15.67 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.55 174.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.94 29.54 8.01 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.615 -177.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -74.61 -51.88 13.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.172 0.51 . . . . 0.0 109.724 177.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.5 m -92.07 94.43 9.23 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 172.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.3 t -104.57 12.24 33.33 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.721 0.772 . . . . 0.0 109.8 -176.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.38 130.71 46.47 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.473 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.468 ' CD ' ' HG2' ' A' ' 72' ' ' ARG . 11.7 tp10 -89.73 123.25 33.57 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.571 -178.173 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 62.7 ttp85 -151.94 9.7 0.52 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.406 0.622 . . . . 0.0 110.149 177.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -87.13 -51.69 5.85 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.468 ' HG2' ' CD ' ' A' ' 69' ' ' GLU . 11.6 ptt180 -89.88 -28.27 19.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.702 174.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.2 tt -90.64 84.6 5.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.327 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -140.87 151.3 44.2 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.711 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.469 ' HA ' ' HD2' ' A' ' 76' ' ' PRO . 9.4 pt-20 -130.09 109.84 16.76 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 121.165 0.507 . . . . 0.0 111.636 -176.473 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.469 ' HD2' ' HA ' ' A' ' 75' ' ' GLU . 33.8 Cg_endo -67.51 -44.01 5.07 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.503 2.135 . . . . 0.0 110.6 171.241 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.472 ' H ' ' HG2' ' A' ' 77' ' ' GLU . 5.6 pt-20 -84.3 104.15 14.09 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.01 -0.995 . . . . 0.0 108.669 172.253 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -139.88 167.42 22.15 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.886 -166.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -104.76 -6.73 20.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.551 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 20.4 m120 70.29 -163.54 0.16 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.161 176.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -95.0 113.37 25.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.252 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -92.13 96.18 10.18 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.148 0.499 . . . . 0.0 109.869 174.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.569 ' HG ' ' H ' ' A' ' 84' ' ' ARG . 13.1 tp -94.43 -151.83 0.33 Allowed 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 175.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.569 ' H ' ' HG ' ' A' ' 83' ' ' LEU . 29.2 mtm180 -79.97 4.33 17.25 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.094 0.473 . . . . 0.0 110.079 175.233 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.423 ' HB2' ' H ' ' A' ' 86' ' ' SER . 90.8 mtt180 -85.33 -88.42 0.11 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.402 176.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.423 ' H ' ' HB2' ' A' ' 85' ' ' ARG . 20.8 t 59.79 -178.01 0.09 Allowed 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.673 0.749 . . . . 0.0 112.206 175.004 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -153.51 6.5 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.94 -1.027 . . . . 0.0 108.317 175.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -106.56 10.06 31.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.601 -170.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 55.7 mt -79.72 98.25 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.126 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -112.11 -174.12 2.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.505 175.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -86.82 143.28 27.55 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 177.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 62.3 mt 70.33 162.65 0.24 Allowed 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.858 0.724 . . . . 0.0 111.792 177.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -111.31 -168.63 1.33 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.511 173.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.9 m 66.35 95.99 0.06 Allowed 'General case' 0 C--O 1.233 0.205 0 O-C-N 123.608 0.567 . . . . 0.0 110.694 -177.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.77 153.89 42.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.801 -178.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -78.86 3.96 15.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.479 -178.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -87.36 88.15 7.61 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.956 0.407 . . . . 0.0 110.198 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.82 23.55 1.69 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.313 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 63.6 mttp 67.12 62.88 0.46 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.51 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -83.44 143.17 30.44 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 168.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.496 ' HG2' ' H ' ' A' ' 102' ' ' PHE . 1.3 pm0 -66.98 -53.76 28.4 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.44 -173.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.496 ' H ' ' HG2' ' A' ' 101' ' ' GLU . 70.7 m-85 62.73 -68.64 0.07 Allowed 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.732 0.645 . . . . 0.0 110.958 -172.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.414 ' HB2' ' HE1' ' A' ' 106' ' ' TRP . 17.7 m-20 68.3 -73.66 0.08 Allowed 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 123.59 0.756 . . . . 0.0 111.295 -178.26 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.1 mtp-105 -144.19 -179.21 6.37 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -175.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.1 mp -86.18 78.4 9.37 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 170.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.414 ' HE1' ' HB2' ' A' ' 103' ' ' ASP . 17.0 p-90 -137.54 146.12 43.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.54 -173.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.36 153.89 5.51 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 172.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 94.5 mttt . . . . . 0 C--O 1.245 0.842 0 CA-C-O 118.399 -0.81 . . . . 0.0 110.621 -179.01 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.9 mtt . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.445 0.164 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.9 p 48.78 -128.45 1.98 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.549 0.74 . . . . 0.0 112.037 -177.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 89.0 tttt 55.84 76.22 0.29 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.563 0.697 . . . . 0.0 110.981 -174.003 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -83.44 97.25 8.87 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 173.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.7 p 57.24 -88.95 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.271 0 O-C-N 124.288 0.992 . . . . 0.0 109.858 -166.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.07 -19.77 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.382 0.673 . . . . 0.0 109.23 174.507 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -83.55 121.51 27.32 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.3 t -82.3 147.28 56.41 Favored Pre-proline 0 C--N 1.319 -0.719 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 172.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.72 -24.14 36.31 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.727 2.285 . . . . 0.0 111.554 175.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -57.63 -52.44 65.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.928 174.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.7 t -62.59 -40.33 87.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.843 -176.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.6 tpp85 -59.03 -50.96 72.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.58 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -67.75 -42.58 81.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.484 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -58.02 -41.99 84.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.113 -178.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.475 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -63.86 -51.86 62.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.137 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.501 HG21 ' HB2' ' A' ' 54' ' ' HIS . 40.1 t -64.84 -42.64 95.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.747 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -56.51 -45.68 80.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.218 175.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 41.8 tpp -58.63 -42.27 87.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.562 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 15' ' ' ALA . 90.1 t -66.75 -55.09 19.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.74 -40.92 97.92 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -173.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.42 -39.73 74.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.575 -178.556 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.7 m -72.2 -28.78 63.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.045 0.45 . . . . 0.0 109.902 176.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -63.44 -29.83 71.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.609 174.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.74 -28.48 70.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.075 175.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -74.17 -35.05 63.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.316 0.579 . . . . 0.0 109.665 176.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -99.16 -157.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.844 175.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -134.34 8.13 3.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.528 0.68 . . . . 0.0 109.421 172.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.402 ' OG ' ' HE3' ' A' ' 30' ' ' TRP . 39.4 t -131.36 121.75 25.19 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.067 -174.296 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.407 ' O ' HG13 ' A' ' 33' ' ' ILE . 66.0 mt-30 -65.26 -46.7 79.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.957 0.408 . . . . 0.0 110.092 172.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.402 ' HE3' ' OG ' ' A' ' 28' ' ' SER . 9.9 m-90 -55.23 -51.98 64.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.812 -173.624 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.38 94.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.169 0.509 . . . . 0.0 110.89 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.455 ' O ' HG13 ' A' ' 36' ' ' ILE . 26.9 m -67.43 -47.35 70.45 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.29 -178.187 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.625 HG23 ' HB2' ' A' ' 47' ' ' LEU . 78.2 mt -55.54 -41.57 64.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.5 -178.258 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.6 m -62.35 -28.48 69.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.865 0.364 . . . . 0.0 111.618 -178.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 t -89.96 -20.07 23.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.912 0.386 . . . . 0.0 110.945 -176.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 32' ' ' THR . 60.2 mt -86.6 -15.52 9.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.903 0.382 . . . . 0.0 111.247 -176.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.546 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -54.17 -56.91 21.15 Favored Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.54 177.699 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.546 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 73.1 Cg_endo -76.41 -10.09 18.91 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 121.85 1.7 . . . . 0.0 111.886 177.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.4 tttt -79.93 -42.29 24.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.003 -177.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.1 mm -83.6 -45.45 18.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.145 175.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.75 47.36 0.4 Allowed Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.058 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 19.3 p -153.75 -167.87 2.8 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.6 p -94.84 154.67 39.78 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.765 -0.198 . . . . 0.0 110.66 177.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.416 ' HA ' ' HB2' ' A' ' 37' ' ' ALA . 76.6 Cg_exo -51.94 -49.99 15.47 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.505 2.804 . . . . 0.0 114.343 -172.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -61.78 -21.65 64.76 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -175.654 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.7 m -66.13 -36.96 84.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 110.699 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.625 ' HB2' HG23 ' A' ' 33' ' ' ILE . 3.3 mm? -64.81 -44.31 90.31 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.206 178.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 57.7 ttp85 -63.09 -35.94 81.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.379 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 45' ' ' GLU . 92.7 t -63.31 -50.28 79.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.262 175.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 43.3 m0 -61.66 -39.73 92.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.378 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 47' ' ' LEU . 77.7 t -60.13 -44.1 94.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 120.64 0.257 . . . . 0.0 110.484 176.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -64.54 -42.74 95.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.108 177.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 49' ' ' VAL . 94.1 mt-30 -58.73 -46.41 87.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.547 178.096 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.587 ' HA ' ' HB3' ' A' ' 57' ' ' ASP . 68.7 t60 -72.25 -20.84 61.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.163 -178.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -73.03 -28.46 62.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.18 0.514 . . . . 0.0 109.683 178.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.6 mtp85 -87.21 -25.75 23.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.443 172.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.587 ' HB3' ' HA ' ' A' ' 54' ' ' HIS . 1.8 t70 -58.61 -57.3 13.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.288 174.022 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.0 m -90.67 11.11 23.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.717 0.77 . . . . 0.0 110.31 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -137.39 -125.54 2.41 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.392 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 112.13 -30.67 7.5 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.389 -0.91 . . . . 0.0 112.729 176.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -67.41 -35.69 79.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.312 0.577 . . . . 0.0 110.062 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -118.44 153.52 33.96 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.471 174.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -116.55 14.99 14.89 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.458 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.94 25.26 4.26 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.098 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.9 mt -113.04 -2.9 14.1 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.027 -0.361 . . . . 0.0 110.027 178.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.8 p 51.65 -119.44 1.45 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.088 -176.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.3 p -142.02 157.14 45.27 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.627 0.251 . . . . 0.0 110.571 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.82 157.16 23.28 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 173.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -74.23 8.18 2.32 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.968 0.413 . . . . 0.0 111.342 -177.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 62.7 mtp85 -108.34 89.75 3.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.74 -178.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -161.82 150.3 15.31 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -176.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 72' ' ' ARG . 14.3 ttp180 -80.97 132.16 35.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.855 0.359 . . . . 0.0 110.126 175.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.723 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.5 pt? -78.77 151.02 32.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.178 178.405 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -100.06 -67.65 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.131 -177.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -129.65 129.16 23.11 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 120.788 0.328 . . . . 0.0 110.455 177.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -87.55 123.61 1.85 Allowed 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 122.673 2.249 . . . . 0.0 112.336 177.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -87.83 34.82 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.081 0.467 . . . . 0.0 110.35 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 78' ' ' ARG . 34.9 ttp-105 -58.47 -54.98 40.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.229 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -102.53 142.04 34.37 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.862 -175.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -92.28 128.95 38.32 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 175.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 33.6 mtp180 -100.34 105.66 17.2 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.99 0.424 . . . . 0.0 111.331 -169.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -139.66 125.87 20.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.733 175.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 25.5 tp -128.57 0.71 5.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.93 -178.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.495 ' HA ' ' HD3' ' A' ' 84' ' ' ARG . 8.5 mmt180 -96.23 9.85 39.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.234 0.54 . . . . 0.0 111.265 -176.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 85' ' ' ARG . 9.9 mmt180 -142.33 176.01 9.32 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.234 176.083 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.9 m -76.26 134.98 39.65 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 174.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -63.86 100.18 0.29 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.934 0.397 . . . . 0.0 110.39 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -84.57 -177.35 6.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.025 -176.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 21.5 pt -136.43 26.29 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.153 175.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.8 mp -106.69 116.85 32.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.717 -173.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.3 mmt85 -115.93 102.26 9.51 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 177.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.3 tt -101.8 -64.0 1.1 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 60.74 92.7 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 O-C-N 123.762 0.664 . . . . 0.0 111.537 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.5 m 67.85 96.76 0.06 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.34 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.1 138.95 30.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.196 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -109.89 -170.23 1.61 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.722 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -88.58 169.85 11.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.203 -177.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -93.24 106.43 18.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.729 174.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -76.2 -38.23 56.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.948 -174.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -147.99 156.98 43.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.998 0.427 . . . . 0.0 111.81 -177.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -154.77 150.23 27.33 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 176.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -65.24 -68.09 0.39 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 111.053 -175.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -88.71 157.64 18.46 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.1 ttp-105 -116.05 92.26 3.84 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.868 0.366 . . . . 0.0 110.669 -175.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 98.1 mt -96.07 4.77 52.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.426 0.631 . . . . 0.0 109.467 175.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -92.39 77.09 5.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.982 -178.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -93.25 86.8 5.43 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 172.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt . . . . . 0 C--O 1.249 1.035 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.74 -169.604 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.9 mtt . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.753 0.311 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.2 t -124.21 -3.25 8.02 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.887 0.375 . . . . 0.0 111.006 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -108.67 149.65 28.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.384 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 66.1 t30 77.06 -0.6 2.92 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 124.062 0.851 . . . . 0.0 110.159 -176.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -76.98 -30.1 55.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.662 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 59.77 -109.73 0.44 Allowed 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 114.877 -1.056 . . . . 0.0 112.213 173.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -138.6 161.97 35.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.16 -175.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.2 t -74.07 135.21 76.97 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.141 177.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.518 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 12.0 Cg_endo -55.98 -39.08 93.4 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 123.165 2.577 . . . . 0.0 112.142 -179.037 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -61.6 -46.61 89.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.129 0.49 . . . . 0.0 110.689 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.9 t -65.61 -37.34 79.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.228 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -58.24 -51.86 68.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.567 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' ' 9' ' ' PRO . 12.2 mm100 -60.59 -42.06 95.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.526 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.486 ' O ' ' HG2' ' A' ' 18' ' ' MET . 99.3 mtt180 -60.62 -42.13 96.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.216 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.438 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -61.95 -49.86 74.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.305 -179.084 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -64.66 -36.61 77.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.212 0.529 . . . . 0.0 110.344 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -62.44 -38.73 90.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.026 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.486 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 92.4 mmm -63.13 -42.61 99.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.229 175.28 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 15' ' ' ALA . 93.3 t -58.84 -48.22 86.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.604 177.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.58 -45.59 89.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.034 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -57.74 -47.67 81.8 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.28 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.4 t -65.56 -41.13 93.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.271 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -65.9 -13.22 59.27 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.818 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.91 -28.35 71.77 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.883 173.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -111.76 -38.43 4.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.013 0.435 . . . . 0.0 109.962 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -80.66 107.79 13.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.554 177.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -76.33 -24.67 54.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.494 -172.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.5 m -97.21 108.38 21.09 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.36 -178.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.411 ' O ' HG13 ' A' ' 33' ' ' ILE . 6.7 tt0 -56.19 -38.08 70.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.454 -177.18 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -61.19 -37.78 84.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.783 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.2 -39.27 82.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.108 177.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.4 m -63.1 -49.75 73.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.877 177.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.568 HG23 HD23 ' A' ' 47' ' ' LEU . 82.6 mt -56.69 -48.41 80.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.311 -179.21 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.0 m -65.53 -14.44 61.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.817 -178.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.2 m -97.92 -41.6 7.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.873 0.368 . . . . 0.0 110.912 178.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.8 mm -79.56 -40.54 21.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.988 -174.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.568 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -53.65 -52.23 69.06 Favored Pre-proline 0 CA--C 1.536 0.431 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -176.432 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.568 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 9.9 Cg_exo -71.86 -24.44 21.14 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 121.991 1.794 . . . . 0.0 112.049 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -72.5 -43.42 63.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.155 -179.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 47.8 mm -74.7 -44.72 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.398 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.34 51.83 0.38 Allowed Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.758 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.7 p -152.67 171.3 18.4 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -178.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.3 p -91.44 151.06 42.31 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.764 -0.198 . . . . 0.0 110.96 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.07 -37.69 86.86 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.026 2.484 . . . . 0.0 112.144 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.542 ' O ' HG23 ' A' ' 49' ' ' VAL . 11.0 tp10 -52.84 -59.32 4.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.488 175.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.3 m -61.64 -42.3 98.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.495 -175.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.568 HD23 HG23 ' A' ' 33' ' ' ILE . 49.3 tp -63.7 -43.86 95.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.801 -179.125 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.9 ttt85 -66.82 -31.78 72.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.086 -178.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 45' ' ' GLU . 88.1 t -61.66 -44.36 98.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 174.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 38.1 m0 -64.79 -34.68 78.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.052 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.493 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 85.1 t -60.15 -54.78 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 176.072 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.5 HH21 ' CD ' ' A' ' 55' ' ' GLU . 1.7 mmp_? -58.58 -38.89 78.87 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.603 178.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -62.84 -46.03 89.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.903 178.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -62.79 -37.29 86.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.942 0.401 . . . . 0.0 110.27 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.5 ' CD ' HH21 ' A' ' 52' ' ' ARG . 47.6 mt-10 -67.02 -43.69 82.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.538 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.417 HH12 ' HA2' ' A' ' 60' ' ' GLY . 14.3 tpt180 -70.7 -27.54 64.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.231 0.539 . . . . 0.0 110.311 177.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -67.53 -51.24 53.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.208 177.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.2 m -82.23 -45.46 15.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.705 -175.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.85 134.96 12.51 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.036 -177.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.417 ' HA2' HH12 ' A' ' 56' ' ' ARG . . . -139.53 -160.63 8.42 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.619 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -114.37 124.48 52.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.86 0.362 . . . . 0.0 110.693 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -137.58 118.83 14.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.929 176.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.59 37.22 27.57 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.838 -176.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.26 109.27 2.79 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.698 178.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.554 ' HG ' ' H ' ' A' ' 67' ' ' THR . 39.3 tp -103.92 152.6 21.77 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 -178.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 m -67.8 -25.5 65.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.308 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.554 ' H ' ' HG ' ' A' ' 65' ' ' LEU . 19.3 p 47.15 71.8 0.29 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.516 0.674 . . . . 0.0 111.395 -175.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.48 -22.52 43.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.203 -176.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.648 ' HG2' ' H ' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -89.18 -60.31 1.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 177.902 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.648 ' H ' ' HG2' ' A' ' 69' ' ' GLU . 0.1 OUTLIER 169.57 -61.54 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 123.949 0.9 . . . . 0.0 109.327 175.555 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.521 ' H ' ' HG3' ' A' ' 70' ' ' ARG . 21.4 mp0 -143.96 -179.38 6.45 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 175.202 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 69.2 mtt85 -78.83 115.11 18.31 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.248 0.547 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 pp -146.23 -178.19 6.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.416 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt 60.52 32.03 20.39 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 122.726 0.41 . . . . 0.0 111.744 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -125.24 79.27 66.37 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-O 121.033 0.444 . . . . 0.0 109.86 177.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.788 ' HG2' ' HB3' ' A' ' 79' ' ' GLU . 2.9 Cg_endo -87.41 -168.44 0.4 Allowed 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 123.585 2.857 . . . . 0.0 111.847 -179.528 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -94.1 -62.23 1.38 Allowed 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -117.3 83.26 1.95 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.297 0.57 . . . . 0.0 110.696 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.788 ' HB3' ' HG2' ' A' ' 76' ' ' PRO . 26.7 tt0 -151.86 153.2 33.72 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 176.346 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -77.46 87.49 3.82 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.4 ttt85 -80.67 98.49 7.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.164 0.507 . . . . 0.0 110.271 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -102.01 109.31 21.0 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.589 176.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 31.4 tp -84.01 156.99 22.0 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.34 -178.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -54.05 -51.95 62.44 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 123.224 0.328 . . . . 0.0 111.028 178.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.2 mtm105 65.11 89.49 0.09 Allowed 'General case' 0 C--N 1.332 -0.156 0 O-C-N 123.79 0.681 . . . . 0.0 110.477 -177.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.9 m -86.51 70.51 10.46 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.315 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -106.83 72.43 0.89 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.668 0.747 . . . . 0.0 111.114 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -76.69 81.77 3.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.787 176.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.476 ' H ' HG13 ' A' ' 89' ' ' ILE . 2.5 pp -88.2 0.8 7.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.84 -176.1 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 87.8 mt -77.61 136.67 38.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.122 0.487 . . . . 0.0 111.098 -177.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.812 ' HG2' ' H ' ' A' ' 92' ' ' LEU . 58.5 ttp85 -96.0 -162.24 0.94 Allowed 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 175.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.812 ' H ' ' HG2' ' A' ' 91' ' ' ARG . 57.2 tp -57.21 112.92 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.655 0.264 . . . . 0.0 110.775 176.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.92 91.65 5.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.106 0.479 . . . . 0.0 110.95 -178.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.7 t -108.2 -159.82 0.7 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.711 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.426 ' O ' ' HG3' ' A' ' 99' ' ' LYS . . . 72.55 -54.79 0.68 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.842 0.857 . . . . 0.0 112.226 178.01 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.453 ' HA ' ' HE2' ' A' ' 99' ' ' LYS . 24.0 m-85 -67.23 -20.27 65.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.916 0.389 . . . . 0.0 110.928 -176.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -118.52 30.18 7.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.27 176.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -131.01 11.76 5.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.953 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.453 ' HE2' ' HA ' ' A' ' 96' ' ' TYR . 49.7 mtmt -103.96 17.68 23.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.873 -175.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 68.87 96.95 0.06 Allowed 'General case' 0 N--CA 1.466 0.329 0 O-C-N 124.111 0.882 . . . . 0.0 110.899 -177.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -70.15 148.06 49.14 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.706 -176.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -97.3 166.9 11.33 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 174.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -73.31 135.51 44.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.998 0.428 . . . . 0.0 110.242 -178.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 58.8 ttt-85 -141.16 147.28 38.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.123 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.419 ' HG ' ' N ' ' A' ' 106' ' ' TRP . 31.5 tp -116.16 169.85 8.96 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 176.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.658 ' HB3' ' HG2' ' A' ' 108' ' ' LYS . 88.8 m95 -87.53 127.28 35.25 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.763 0.316 . . . . 0.0 110.374 178.187 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -87.48 21.7 2.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.11 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.658 ' HG2' ' HB3' ' A' ' 106' ' ' TRP . 17.4 ptpt . . . . . 0 C--O 1.248 0.999 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.643 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 mmt . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.6 m -80.03 76.91 6.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.228 0.537 . . . . 0.0 110.825 -179.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -111.16 8.18 21.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.595 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -102.31 151.64 22.01 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.538 178.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.71 142.73 48.19 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.806 0.336 . . . . 0.0 111.494 -177.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.467 ' N ' ' HD3' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -147.0 147.14 30.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.317 178.724 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -105.16 139.16 40.24 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.768 -177.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.8 m -66.32 150.77 96.75 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.521 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.416 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 71.6 Cg_exo -49.26 -50.6 12.51 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.489 2.792 . . . . 0.0 113.617 -177.16 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -67.67 -30.28 69.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.924 0.392 . . . . 0.0 110.857 -176.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.3 t -69.95 -40.1 78.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -61.19 -40.53 94.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.12 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 9' ' ' PRO . 15.2 mm-40 -63.71 -49.67 72.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.768 178.521 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -59.17 -40.27 85.1 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.566 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.468 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -55.61 -51.59 66.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.074 178.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 51.8 t -65.81 -42.66 92.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.948 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -59.74 -45.62 91.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.977 -178.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 71.8 mtm -59.51 -44.68 93.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.665 0.269 . . . . 0.0 110.93 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 15' ' ' ALA . 98.7 t -59.88 -44.97 95.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.771 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.9 mt -67.84 -41.82 82.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.287 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -61.59 -51.52 68.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.322 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.4 m -67.29 -27.39 67.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.631 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -60.52 -34.78 74.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.038 0.447 . . . . 0.0 110.141 176.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.04 -22.72 76.19 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.568 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -94.18 -18.8 21.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.945 0.402 . . . . 0.0 110.83 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -109.63 -163.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.668 175.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -111.29 -36.22 5.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.988 0.423 . . . . 0.0 110.644 177.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 t -117.64 140.45 49.63 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.078 -175.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.464 ' O ' HG13 ' A' ' 33' ' ' ILE . 9.4 pt20 -73.2 -27.77 61.81 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-O 121.076 0.465 . . . . 0.0 109.747 175.003 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 9.4 m-90 -70.92 -23.16 62.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.209 0.528 . . . . 0.0 110.163 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.26 -26.24 52.27 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.797 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.6 p -91.97 -40.53 11.07 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.992 179.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.804 HG23 HD23 ' A' ' 47' ' ' LEU . 70.2 mt -51.81 -47.01 40.48 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.576 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.2 p -67.76 -14.77 63.23 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 -177.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.0 t -98.83 -19.14 17.56 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.154 0.502 . . . . 0.0 110.704 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.7 mt -102.67 -43.63 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.73 -175.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.553 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -54.37 -50.77 83.11 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -176.437 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.553 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 24.6 Cg_exo -64.32 -25.45 64.23 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 122.042 1.828 . . . . 0.0 112.296 179.286 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -76.61 -29.57 56.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.195 0.521 . . . . 0.0 110.272 -179.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.6 mt -83.7 -42.67 17.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.348 0.594 . . . . 0.0 109.718 175.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.87 16.59 9.09 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.717 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.5 p -109.4 168.75 9.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.816 0.341 . . . . 0.0 110.571 -178.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.401 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 13.3 p -83.32 143.16 44.47 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.769 178.08 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 43' ' ' THR . 48.8 Cg_exo -56.44 -37.52 97.03 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.764 2.31 . . . . 0.0 112.367 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.486 ' O ' HG23 ' A' ' 49' ' ' VAL . 48.7 mt-10 -63.16 -53.91 45.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.088 -178.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.2 m -65.25 -33.31 75.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.466 -178.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.804 HD23 HG23 ' A' ' 33' ' ' ILE . 55.1 tp -61.54 -42.52 98.95 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.845 0.355 . . . . 0.0 110.164 176.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -65.16 -37.08 86.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.506 177.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 45' ' ' GLU . 91.8 t -59.3 -41.03 82.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.756 178.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 32.1 m0 -60.7 -44.15 96.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.794 177.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.47 -46.39 96.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.135 176.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -60.64 -42.57 97.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.845 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 14.5 mm100 -66.73 -25.68 66.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.772 179.4 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 13.8 m80 -78.9 -30.88 45.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.71 174.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -68.54 -41.5 79.75 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 175.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.7 ttt85 -66.97 -37.87 85.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.078 0.466 . . . . 0.0 110.268 174.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -58.17 -50.96 71.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.616 176.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.8 m -71.06 -33.18 70.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.649 -179.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.49 -84.71 0.63 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.288 176.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.97 103.43 1.72 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.356 178.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -71.15 -77.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 176.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 59.2 21.14 9.22 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.068 177.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 107.1 -139.53 14.96 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.542 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 150.99 136.33 2.49 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 121.199 -0.524 . . . . 0.0 111.851 -177.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 94.4 mt -95.89 156.65 16.24 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.2 t -88.32 -3.98 58.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.137 0.494 . . . . 0.0 110.815 -178.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.95 90.11 2.97 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.932 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.92 147.71 48.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.518 173.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 54.0 mp0 -57.06 -48.88 77.49 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.446 0.466 . . . . 0.0 110.509 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 70' ' ' ARG . 30.5 ttm-85 67.94 5.06 4.32 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.733 0.646 . . . . 0.0 110.991 177.303 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -77.96 101.51 6.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.084 0.469 . . . . 0.0 110.244 -178.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -89.29 114.2 25.55 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.36 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 26.1 tp -82.08 42.66 0.74 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.686 -170.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -145.82 92.1 2.17 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 173.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 58.03 75.52 0.53 Allowed Pre-proline 0 C--N 1.329 -0.286 0 O-C-N 123.58 0.55 . . . . 0.0 110.734 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -63.6 138.72 66.14 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.703 2.269 . . . . 0.0 112.245 -176.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -75.35 86.49 2.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.478 0.656 . . . . 0.0 110.904 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -105.05 -4.03 22.45 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.556 177.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -66.9 113.7 5.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.408 -170.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -132.02 25.75 4.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.47 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 54.3 mtt85 -58.63 -57.06 14.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.585 178.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -79.98 -27.95 39.6 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.165 0.507 . . . . 0.0 110.406 -178.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.1 tt -84.98 75.39 10.39 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.383 0.611 . . . . 0.0 109.78 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 64.7 mtt85 -125.54 149.58 48.2 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.421 176.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.416 ' H ' ' HG2' ' A' ' 85' ' ' ARG . 3.4 ptp85 -81.78 66.27 7.27 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.525 0.678 . . . . 0.0 110.913 178.36 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.0 t -102.8 120.35 40.45 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -86.02 -25.05 26.17 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.042 0.449 . . . . 0.0 110.159 -176.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -76.95 87.05 3.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.89 176.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 14.5 tt 178.7 140.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.66 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.1 mp -122.25 98.72 6.06 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 176.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -82.25 145.8 29.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.083 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 43.9 tp -76.96 87.7 3.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.366 0.603 . . . . 0.0 110.495 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -109.89 123.54 49.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.069 178.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.2 t -154.29 93.26 1.59 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.993 0.425 . . . . 0.0 110.145 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.78 114.22 23.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -96.96 106.85 19.26 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.829 178.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -83.75 101.46 11.59 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.341 0.591 . . . . 0.0 109.625 174.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.99 -32.06 63.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.631 -174.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -122.71 157.23 32.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.023 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -97.66 -53.11 3.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.741 176.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -173.61 178.66 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.754 178.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -111.23 154.36 24.54 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 -178.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -109.73 -164.78 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 64.2 ttp85 -112.29 121.23 44.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.955 0.407 . . . . 0.0 110.389 178.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 92.8 mt -104.39 110.28 22.46 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.129 177.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 74.1 t-105 -78.33 -40.68 35.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.56 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 16.6 tptm -132.09 117.96 19.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.375 178.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 46.6 mttp . . . . . 0 C--O 1.245 0.83 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 173.733 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 120.817 0.341 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.8 m -64.43 -38.62 91.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.089 0.471 . . . . 0.0 110.502 177.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -122.25 -26.68 4.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.781 -178.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -98.64 126.76 44.34 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.084 0.468 . . . . 0.0 111.969 -175.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.2 p 52.47 82.9 0.06 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 114.872 -1.058 . . . . 0.0 113.143 178.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.2 ptt85 -109.75 104.18 13.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.182 174.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -120.2 100.32 7.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.705 -179.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.525 ' HB2' HG23 ' A' ' 11' ' ' VAL . 15.7 m -88.59 136.9 30.69 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.439 178.131 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -53.31 -36.08 76.99 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.914 2.409 . . . . 0.0 112.424 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.99 -33.01 70.21 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.041 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.525 HG23 ' HB2' ' A' ' 8' ' ' SER . 72.0 t -67.25 -48.98 76.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.348 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 49.6 mtm180 -64.19 -40.13 95.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.1 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -53.95 -57.97 9.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.463 176.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -63.38 -33.55 75.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.18 -177.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.583 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -59.5 -60.85 3.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.818 177.183 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.508 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 61.8 t -63.87 -39.98 87.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.639 -178.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.517 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 40.6 ttt-85 -55.45 -52.01 65.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.377 177.712 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 34.2 ttp -60.72 -36.93 80.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 15' ' ' ALA . 98.8 t -60.76 -49.81 83.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.641 0.258 . . . . 0.0 110.383 176.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 78.3 mt -61.75 -48.12 82.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.292 -177.117 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 17' ' ' ARG . 39.5 mt-10 -73.82 -14.34 61.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.711 -174.155 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.2 m -92.69 -27.69 17.11 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 172.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -67.17 -26.96 66.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.513 178.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.42 -13.09 59.98 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.478 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -111.69 -48.89 3.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.851 0.358 . . . . 0.0 110.643 178.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -65.34 155.19 36.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.568 0.699 . . . . 0.0 112.667 -174.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -76.5 -35.14 58.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.332 -177.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.6 t -125.11 143.11 51.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.191 -175.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -74.13 -23.56 59.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.49 176.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 64.4 t90 -72.35 -36.76 68.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.545 174.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.95 -38.44 91.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.01 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.8 p -69.3 -50.02 50.61 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.786 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.5 mt -56.85 -46.11 83.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.8 0.333 . . . . 0.0 110.929 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.9 t -65.17 -23.77 67.2 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.428 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.0 m -92.68 -22.26 19.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.807 0.337 . . . . 0.0 111.24 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.2 mt -93.35 -27.03 4.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.011 0.434 . . . . 0.0 111.027 -177.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.42 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -50.4 -53.71 42.28 Favored Pre-proline 0 CA--C 1.541 0.602 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.343 177.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.42 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 74.4 Cg_endo -73.57 -0.74 9.72 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.139 1.893 . . . . 0.0 113.229 -179.252 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -86.9 -28.44 22.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.176 0.513 . . . . 0.0 109.98 177.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.9 mt -106.21 -41.37 6.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.477 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.25 19.85 8.21 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 -176.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.3 p -105.64 147.8 28.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.684 0.278 . . . . 0.0 110.987 -177.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.513 ' HB ' ' OG1' ' A' ' 46' ' ' THR . 36.8 m -69.96 138.67 87.67 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.059 177.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -49.09 -40.42 41.57 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.991 2.46 . . . . 0.0 113.19 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.502 ' O ' HG23 ' A' ' 49' ' ' VAL . 6.6 mm-40 -68.27 -32.55 72.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.923 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.513 ' OG1' ' HB ' ' A' ' 43' ' ' THR . 2.1 m -69.79 -41.99 74.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.216 0.531 . . . . 0.0 109.785 177.295 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.583 HD11 HG21 ' A' ' 19' ' ' VAL . 1.1 tm? -59.08 -43.15 91.79 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.509 -0.769 . . . . 0.0 108.931 175.222 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -55.74 -38.13 69.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.067 178.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 45' ' ' GLU . 84.3 t -64.52 -45.89 94.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.978 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.467 ' HE3' HD22 ' A' ' 47' ' ' LEU . 17.0 m0 -63.77 -33.36 75.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.943 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.556 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 84.8 t -62.49 -45.93 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.117 175.317 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -60.94 -42.99 99.28 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.84 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -60.74 -37.7 82.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.785 0.326 . . . . 0.0 110.145 179.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.466 ' O ' ' HB3' ' A' ' 57' ' ' ASP . 57.9 t-80 -67.22 -48.21 68.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.006 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 51' ' ' VAL . 5.5 mm-40 -68.41 -43.27 77.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.6 -177.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -69.91 -19.0 63.41 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.42 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.466 ' HB3' ' O ' ' A' ' 54' ' ' HIS . 5.6 t70 -65.81 -37.3 85.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.706 176.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.3 m -99.16 -35.96 9.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.284 -176.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -133.52 65.36 0.59 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.281 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.449 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -106.66 -22.83 7.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.265 -179.337 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -92.32 -51.68 5.04 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 175.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -135.53 141.64 45.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.68 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 144.04 -72.52 0.36 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.02 -0.61 . . . . 0.0 111.812 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.92 -159.11 28.49 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.35 177.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.2 tp -85.32 65.47 9.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.389 0.614 . . . . 0.0 109.73 177.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.449 HG21 ' HA2' ' A' ' 60' ' ' GLY . 11.1 p -97.25 -1.69 44.28 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.624 -179.031 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.4 p -83.39 136.02 34.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.607 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -84.17 -72.84 0.45 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 52.23 86.26 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 O-C-N 123.859 0.724 . . . . 0.0 112.599 175.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.9 ttt-85 57.09 90.67 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.214 175.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -161.91 137.58 7.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 122.147 -0.346 . . . . 0.0 111.081 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -78.69 141.28 38.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.603 174.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.0 mt -109.93 151.85 26.57 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.93 0.395 . . . . 0.0 110.774 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -78.33 4.71 12.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.803 176.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 60.0 84.58 0.2 Allowed Pre-proline 0 CA--C 1.529 0.156 0 O-C-N 123.838 0.711 . . . . 0.0 109.763 -175.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -60.02 -38.07 80.52 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.721 2.948 . . . . 0.0 114.4 -167.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -90.28 90.86 8.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.544 0.688 . . . . 0.0 110.918 -176.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -100.88 154.02 19.01 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.432 175.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -84.48 140.32 31.56 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -67.36 135.36 53.12 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.385 0.612 . . . . 0.0 110.358 -177.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -95.16 112.11 23.86 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.428 -174.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -96.01 13.56 26.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.713 -178.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 97.6 mt -74.57 90.48 2.25 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 175.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -94.94 142.61 27.27 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.114 -173.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -158.81 -63.53 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.302 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.8 t -132.26 82.62 2.03 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 175.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -104.79 12.05 33.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.775 -177.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -82.13 36.26 0.46 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.268 -176.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 70.8 mt 68.36 104.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.909 -178.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.42 104.75 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.156 178.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -125.66 168.68 13.4 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.417 -177.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 62.0 tp -52.12 129.4 27.48 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.118 0.261 . . . . 0.0 110.995 177.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 76.62 -4.98 2.26 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 124.019 0.824 . . . . 0.0 111.924 178.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.0 t -112.13 -27.92 8.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.736 0.303 . . . . 0.0 110.346 177.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.75 106.75 8.6 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.569 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 74.14 111.41 0.07 Allowed 'General case' 0 N--CA 1.466 0.365 0 O-C-N 124.133 0.895 . . . . 0.0 111.948 178.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -88.87 164.38 15.21 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.369 175.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -114.59 146.06 41.24 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.564 0.221 . . . . 0.0 110.703 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -81.9 91.12 6.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.99 0.424 . . . . 0.0 110.849 178.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.23 -30.49 38.56 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 173.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 63.31 20.12 12.08 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.847 177.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -75.81 -37.47 59.08 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 176.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -106.77 121.07 43.65 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.217 175.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -114.47 116.68 29.23 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.931 0.396 . . . . 0.0 111.055 -175.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.415 ' N ' HD12 ' A' ' 105' ' ' LEU . 6.5 mp -80.92 -78.59 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 176.167 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -143.16 -176.09 4.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.833 177.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -99.12 -3.5 34.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.526 0.679 . . . . 0.0 110.638 -177.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 44.7 tttm . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.626 -0.702 . . . . 0.0 110.226 178.491 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.6 mtt . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 120.666 0.27 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.1 m -70.97 83.45 0.67 Allowed 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 173.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -152.59 -58.87 0.14 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.27 -174.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -101.47 99.06 9.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.843 176.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.5 m -115.34 113.59 24.02 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.875 177.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -126.75 -171.82 2.49 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.4 -174.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -84.79 138.76 32.4 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.0 m -57.63 130.96 82.05 Favored Pre-proline 0 C--N 1.323 -0.566 0 O-C-N 123.415 0.447 . . . . 0.0 111.014 -177.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.62 -23.61 26.33 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.251 2.634 . . . . 0.0 112.594 178.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -55.58 -41.19 73.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.467 177.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.2 t -67.08 -43.26 88.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.562 -179.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -65.2 -36.05 82.97 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -66.3 -46.71 76.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.32 176.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -57.97 -53.52 57.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.395 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.483 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -58.93 -59.67 5.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.564 -0.743 . . . . 0.0 112.163 -174.44 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.4 t -58.46 -41.14 80.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.448 -175.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.4 ttp85 -62.34 -45.08 94.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.697 -178.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.549 ' HG2' HD12 ' A' ' 36' ' ' ILE . 50.5 ttm -68.89 -31.7 70.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.877 -178.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 15' ' ' ALA . 77.7 t -65.22 -52.71 49.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.415 175.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.1 mt -58.28 -41.92 85.41 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.943 0.401 . . . . 0.0 110.675 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -56.24 -48.24 76.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.832 178.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.464 ' HB2' HG23 ' A' ' 32' ' ' THR . 16.1 m -77.23 -24.8 51.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -178.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -68.1 -19.72 64.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.308 0.575 . . . . 0.0 109.975 175.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.98 -1.77 69.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.789 173.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -117.92 -53.96 2.35 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 178.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -77.25 144.17 38.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.557 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -89.8 -14.63 34.07 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.426 0.631 . . . . 0.0 109.625 176.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.0 t -103.64 129.02 50.87 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.643 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.448 ' NE2' HG11 ' A' ' 51' ' ' VAL . 59.8 tp60 -67.22 -39.86 86.31 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.62 176.095 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 18.9 m-90 -68.81 -40.9 79.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.963 -176.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.56 -30.62 68.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.94 0.4 . . . . 0.0 110.669 176.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.464 HG23 ' HB2' ' A' ' 22' ' ' SER . 27.4 m -76.75 -44.17 34.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.616 178.55 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.462 HG23 HD23 ' A' ' 47' ' ' LEU . 83.9 mt -61.42 -48.18 90.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.003 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 80.5 m -69.43 -13.44 62.36 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -175.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.9 p -98.73 -38.82 8.93 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.438 179.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.549 HD12 ' HG2' ' A' ' 18' ' ' MET . 50.0 mm -79.64 -38.2 19.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.881 -175.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.51 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -54.63 -54.78 45.11 Favored Pre-proline 0 CA--C 1.539 0.541 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -176.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.51 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 71.8 Cg_endo -75.71 -9.9 19.92 Favored 'Trans proline' 0 C--N 1.357 0.974 0 C-N-CA 122.103 1.869 . . . . 0.0 112.261 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -81.22 -40.71 23.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.429 0.633 . . . . 0.0 109.938 177.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.424 ' CD1' ' HA ' ' A' ' 15' ' ' ALA . 66.0 mt -83.01 -42.85 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.444 177.544 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.6 47.27 0.58 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.081 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 62.2 m -139.08 160.9 38.69 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.6 p -78.24 141.35 61.98 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-O 120.64 0.257 . . . . 0.0 110.963 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.53 -37.12 90.28 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 123.262 2.642 . . . . 0.0 112.928 -177.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.527 ' O ' HG23 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -71.55 -32.61 68.32 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.396 -178.15 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 97.1 m -71.41 -40.0 70.76 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.462 HD23 HG23 ' A' ' 33' ' ' ILE . 41.4 tp -62.86 -40.19 96.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.192 177.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -56.28 -44.44 79.79 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.733 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 45' ' ' GLU . 81.2 t -59.3 -45.48 93.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 37.3 m0 -62.59 -39.09 92.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.262 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.448 HG11 ' NE2' ' A' ' 29' ' ' GLN . 94.2 t -64.73 -47.93 86.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.765 178.745 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -61.13 -39.71 91.08 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.018 177.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -63.33 -51.42 66.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.062 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -61.41 -35.8 78.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.766 0.317 . . . . 0.0 111.041 -178.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -65.23 -30.38 71.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.147 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.455 HH11 ' HD2' ' A' ' 56' ' ' ARG . 23.6 ttt85 -83.13 -36.48 24.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.385 177.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -59.71 -64.69 0.86 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.344 0.592 . . . . 0.0 110.318 175.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.9 m -96.14 78.45 3.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.657 -177.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -106.59 -150.51 17.72 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.826 178.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.91 49.91 4.04 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.772 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -102.66 -165.12 1.15 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -100.0 20.54 14.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.05 0.452 . . . . 0.0 109.962 174.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.681 ' HA2' ' HA ' ' A' ' 69' ' ' GLU . . . -77.95 109.71 2.88 Favored Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.849 -176.081 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.92 -54.75 2.23 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.779 173.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.29 -38.58 84.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.971 0.415 . . . . 0.0 111.101 -176.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.401 ' C ' ' H ' ' A' ' 68' ' ' ALA . 3.2 m -85.18 49.58 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.236 0.541 . . . . 0.0 110.732 -178.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.3 p 63.16 -8.47 0.13 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.006 1.322 . . . . 0.0 113.388 177.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.401 ' H ' ' C ' ' A' ' 66' ' ' THR . . . -166.98 157.64 11.76 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.681 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 33.7 tt0 -101.44 -61.27 1.4 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 175.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.407 ' HG2' ' HG2' ' A' ' 69' ' ' GLU . 26.5 mmm180 -136.98 158.01 45.42 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 175.624 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -55.94 124.19 16.84 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.867 0.365 . . . . 0.0 110.613 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 72' ' ' ARG . 4.3 ptp180 -79.64 57.06 2.37 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.195 -176.022 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 44.4 tp -76.26 79.24 3.04 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.337 0.589 . . . . 0.0 110.708 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.435 ' O ' ' HD3' ' A' ' 76' ' ' PRO . 41.5 mtmt -122.87 15.41 10.06 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.158 176.473 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 36.0 mt-10 -83.19 102.43 1.82 Allowed Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 74' ' ' LYS . 79.8 Cg_endo -94.66 27.6 0.29 Allowed 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.213 2.609 . . . . 0.0 113.568 -168.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -111.95 106.84 15.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.044 0.45 . . . . 0.0 110.0 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -141.93 -37.15 0.41 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.722 -174.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -162.78 115.3 1.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.776 -175.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -111.97 -77.06 0.59 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.927 0.394 . . . . 0.0 110.363 175.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 72.6 mtt85 -145.5 127.54 15.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.306 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -137.2 -170.21 2.67 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 173.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 95.5 mt 66.06 24.8 10.95 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -172.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' A' ' 84' ' ' ARG . 48.2 mtm180 68.14 131.33 0.03 OUTLIER 'General case' 0 C--O 1.231 0.125 0 CA-C-N 114.381 -1.281 . . . . 0.0 111.846 -177.349 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.4 ' HG2' ' H ' ' A' ' 85' ' ' ARG . 12.9 ptm180 -82.94 149.1 27.24 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.749 -177.518 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.7 t -86.02 -174.66 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -142.18 143.03 32.76 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.126 0.489 . . . . 0.0 110.871 -178.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -129.81 136.9 50.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.581 177.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.4 mp -126.14 115.74 43.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.77 -174.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.3 tt -91.06 111.23 22.6 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 175.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -91.26 121.15 32.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.07 0.462 . . . . 0.0 110.723 -177.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.426 ' O ' HD23 ' A' ' 92' ' ' LEU . 7.5 tt -83.89 -33.55 24.75 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.04 84.24 1.78 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.249 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.502 ' HB2' ' HB3' ' A' ' 97' ' ' PHE . 25.2 p -119.56 97.57 5.71 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.645 174.604 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.02 121.22 14.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.81 -174.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 18.8 t80 62.77 19.88 11.75 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.124 175.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.502 ' HB3' ' HB2' ' A' ' 94' ' ' SER . 59.6 t80 -98.93 81.73 2.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.282 0.563 . . . . 0.0 110.784 -177.095 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -154.72 72.36 0.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.485 173.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 64.2 mttp 68.91 6.68 5.74 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.844 -175.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.44 ' O ' ' HB3' ' A' ' 101' ' ' GLU . . . 67.05 -65.57 0.21 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.078 0.951 . . . . 0.0 111.811 -179.115 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.494 ' HG2' ' CD2' ' A' ' 102' ' ' PHE . 44.0 tt0 74.39 110.65 0.07 Allowed 'General case' 0 C--O 1.235 0.296 0 O-C-N 123.791 0.682 . . . . 0.0 110.496 -175.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.494 ' CD2' ' HG2' ' A' ' 101' ' ' GLU . 41.6 m-85 76.65 155.23 0.16 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.618 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 25.3 t0 77.24 157.85 0.19 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.024 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -148.05 170.54 17.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.571 -176.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 73.2 mt -108.12 32.1 5.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.124 0.487 . . . . 0.0 110.313 -177.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 30.6 t-105 -94.51 5.21 52.51 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.589 -176.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 63.4 tttp 69.44 111.46 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 123.399 0.68 . . . . 0.0 110.916 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.153 -178.633 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.483 1.184 0 CA-C-O 120.733 0.301 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.5 t -167.12 132.75 2.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.82 174.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -150.82 113.17 4.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.228 0.537 . . . . 0.0 110.761 -178.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -79.07 117.78 20.44 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.987 176.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.7 t -114.16 156.94 23.33 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.98 0.419 . . . . 0.0 110.904 -177.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.445 ' HG2' ' CD2' ' A' ' 7' ' ' PHE . 24.4 ttp180 -116.18 -78.14 0.58 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 177.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.445 ' CD2' ' HG2' ' A' ' 6' ' ' ARG . 76.5 m-85 -145.78 96.01 2.74 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 176.03 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 p -65.73 137.11 96.12 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.651 -179.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -57.2 -24.45 59.16 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.138 2.559 . . . . 0.0 112.453 -178.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -57.07 -43.73 82.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.433 177.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.1 t -63.19 -43.26 98.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.15 -177.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.484 ' O ' HG23 ' A' ' 16' ' ' VAL . 54.7 mtm180 -58.1 -56.01 27.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.739 -178.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -65.72 -36.74 84.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.042 -176.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -59.83 -47.72 84.57 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.358 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.528 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -66.79 -49.58 65.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.261 -179.574 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 12' ' ' ARG . 97.5 t -58.05 -47.61 86.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.253 -178.575 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -64.09 -35.32 80.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.896 0.379 . . . . 0.0 110.608 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 46.4 ttm -66.33 -39.87 89.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.911 177.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 15' ' ' ALA . 84.3 t -62.28 -47.09 94.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.367 175.371 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 92.4 mt -59.53 -49.29 78.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.333 -178.317 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -58.66 -39.41 80.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.892 0.377 . . . . 0.0 111.025 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.488 ' HB2' HG23 ' A' ' 32' ' ' THR . 16.7 m -80.26 -21.58 42.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.179 -178.371 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -74.39 -20.86 59.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.297 0.57 . . . . 0.0 109.584 175.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.68 -13.55 75.29 Favored Glycine 0 N--CA 1.449 -0.459 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 172.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -89.31 -58.0 2.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.282 0.563 . . . . 0.0 110.353 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -100.01 -175.45 2.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.929 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -118.89 0.91 11.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.453 0.644 . . . . 0.0 109.434 173.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.7 t -112.69 115.4 28.5 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.951 -176.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -67.65 -28.31 67.6 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 173.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -61.0 -51.3 69.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.461 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.44 -37.68 88.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.717 178.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.488 HG23 ' HB2' ' A' ' 22' ' ' SER . 90.7 m -61.43 -57.38 12.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.95 178.059 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 98.2 mt -62.41 -37.65 79.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.228 -177.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.0 t -63.11 -22.48 66.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.228 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.9 m -90.84 -23.94 20.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.931 0.396 . . . . 0.0 110.939 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.1 mt -89.68 -34.14 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.21 -176.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.572 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -53.38 -51.86 71.79 Favored Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -178.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.572 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 6.4 Cg_exo -75.82 -10.42 19.9 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.339 2.026 . . . . 0.0 112.462 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -80.7 -39.46 27.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.103 0.478 . . . . 0.0 110.152 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.6 mt -89.0 -46.31 15.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.059 177.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.42 48.87 0.95 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.549 -177.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.7 p -144.12 167.02 23.38 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 -178.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.43 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 1.3 p -70.0 138.5 87.53 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.363 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 43' ' ' THR . 68.2 Cg_exo -51.85 -43.21 53.26 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.509 2.806 . . . . 0.0 113.954 -176.234 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.431 ' O ' HG23 ' A' ' 49' ' ' VAL . 42.8 mt-10 -62.18 -27.13 68.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.631 0.253 . . . . 0.0 111.259 -176.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.4 m -64.1 -36.0 82.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.299 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.488 ' O ' HG23 ' A' ' 51' ' ' VAL . 3.4 mm? -61.25 -46.67 89.43 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.431 178.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -61.08 -33.9 74.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.679 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.453 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 86.7 t -60.4 -51.97 66.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.958 178.519 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 29.3 m0 -62.93 -39.8 95.67 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.783 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 47' ' ' LEU . 89.9 t -65.04 -42.19 93.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.359 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -62.92 -34.08 76.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.327 -179.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 49' ' ' VAL . 97.7 mt-30 -60.38 -46.34 90.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.128 174.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -66.0 -45.16 82.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.159 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -71.7 -22.43 61.64 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.728 -176.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.589 ' O ' ' HB2' ' A' ' 61' ' ' ASP . 43.1 ttp180 -81.07 -45.9 15.79 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 175.309 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -63.47 -46.07 87.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.88 178.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.3 m -116.59 88.21 2.85 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.543 177.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.53 32.6 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.558 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.27 -96.44 0.65 Allowed Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.645 -0.788 . . . . 0.0 113.014 176.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.589 ' HB2' ' O ' ' A' ' 56' ' ' ARG . 22.8 t70 74.95 -28.21 0.19 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.741 0.816 . . . . 0.0 111.463 -177.419 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -61.96 103.68 0.38 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.29 0.567 . . . . 0.0 111.106 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -165.93 -127.19 0.88 Allowed Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.743 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -177.66 -165.71 33.14 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.66 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.1 tt -76.03 -28.18 57.62 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 25.5 p -81.3 91.94 6.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.964 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.2 p -79.51 121.94 25.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.567 177.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -86.97 4.29 42.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.79 -177.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -65.72 -9.57 29.09 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.858 -177.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -108.06 -40.11 5.31 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.596 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -80.34 -26.3 38.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.058 0.456 . . . . 0.0 110.792 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -104.4 105.21 15.25 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 174.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.04 -53.41 31.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.182 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.407 ' HB3' ' HE2' ' A' ' 74' ' ' LYS . 35.1 ttpt 59.18 91.58 0.04 OUTLIER 'General case' 0 C--O 1.233 0.227 0 O-C-N 123.938 0.774 . . . . 0.0 110.147 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 65.18 87.88 0.12 Allowed Pre-proline 0 C--O 1.233 0.221 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.603 -170.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -61.29 111.44 1.12 Allowed 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 123.296 2.664 . . . . 0.0 113.303 -174.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -94.43 -21.72 18.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.559 176.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -139.13 144.76 38.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.791 -172.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -98.08 -179.13 4.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 173.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -80.06 74.22 6.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.411 0.624 . . . . 0.0 109.589 175.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -97.32 -7.49 31.9 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.248 -176.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -82.17 21.86 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.085 0.469 . . . . 0.0 111.029 -179.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.0 tp -106.8 24.52 12.58 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 177.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -88.41 103.31 15.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.959 -1.018 . . . . 0.0 112.75 -170.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.92 165.59 15.0 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 167.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.0 m -70.42 -21.79 62.79 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.826 0.346 . . . . 0.0 110.671 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -98.36 1.7 47.23 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.362 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -101.86 125.87 48.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.939 0.4 . . . . 0.0 110.002 175.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 25.7 pt -110.5 179.35 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 -177.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.9 mp 63.64 78.88 0.27 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.428 0.632 . . . . 0.0 110.841 -177.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 92' ' ' LEU . 79.1 mtm-85 -84.03 117.54 23.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.316 176.581 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 91' ' ' ARG . 87.4 mt 72.97 -76.98 0.06 Allowed 'General case' 0 N--CA 1.465 0.294 0 O-C-N 124.079 0.862 . . . . 0.0 110.568 -174.048 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -170.47 -71.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.901 0.381 . . . . 0.0 111.001 178.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.7 p -166.03 -40.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.826 -176.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 70.46 5.46 5.38 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.867 178.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.744 ' HE2' ' HA ' ' A' ' 99' ' ' LYS . 8.3 t80 -174.38 137.2 0.5 Allowed 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -179.164 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -72.74 -69.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.716 0.293 . . . . 0.0 111.401 -177.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.11 133.36 21.65 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.744 ' HA ' ' HE2' ' A' ' 96' ' ' TYR . 88.7 tttt -83.85 85.87 7.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.184 0.516 . . . . 0.0 110.03 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -165.12 157.6 15.83 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.393 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -95.12 78.75 3.53 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.212 0.529 . . . . 0.0 109.91 176.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -92.01 -31.63 15.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.645 -178.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -75.33 91.46 2.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.374 0.607 . . . . 0.0 109.929 177.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -146.11 8.39 1.08 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.956 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.07 95.44 5.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.834 -176.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 90.4 t90 -81.11 130.05 34.84 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.201 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 51.8 tptt -157.76 102.98 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.523 177.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 64.3 mttp . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.753 176.468 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.4 ttm . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 110.467 -0.197 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.1 m 75.73 -45.81 0.54 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 122.899 0.48 . . . . 0.0 111.993 174.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -83.8 81.54 8.72 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 178.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -67.92 151.62 46.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.44 -178.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.9 t -83.63 39.24 0.67 Allowed 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 121.266 0.555 . . . . 0.0 111.955 -170.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -159.77 159.6 32.93 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -70.16 134.36 48.04 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 176.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.521 ' HB3' HG23 ' A' ' 11' ' ' VAL . 47.0 t -71.98 147.36 91.13 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.438 -178.48 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -58.06 -24.85 68.03 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.627 2.218 . . . . 0.0 112.632 178.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.63 -13.78 57.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.788 0.328 . . . . 0.0 110.519 -178.023 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.521 HG23 ' HB3' ' A' ' 8' ' ' SER . 79.7 t -64.56 -42.79 96.16 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.22 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.738 177.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.417 ' O ' HG23 ' A' ' 16' ' ' VAL . 61.4 ttp180 -56.63 -49.06 76.09 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.131 -178.328 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -62.04 -43.41 98.9 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.158 0.504 . . . . 0.0 110.761 -178.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.46 HH22 HG22 ' A' ' 11' ' ' VAL . 35.4 ttp-105 -68.89 -42.46 76.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.99 -178.365 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.501 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -59.75 -45.53 91.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.554 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 12' ' ' ARG . 90.1 t -61.77 -39.83 84.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.876 0.369 . . . . 0.0 110.419 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -66.64 -37.28 84.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.177 177.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.8 mmt -59.57 -43.28 93.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.696 175.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.514 ' O ' ' HB2' ' A' ' 23' ' ' GLN . 85.9 t -56.9 -45.77 83.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.46 178.723 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.1 mt -69.72 -41.44 75.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.035 0.445 . . . . 0.0 110.816 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -57.8 -49.87 75.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.497 -178.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.542 ' HB3' HG23 ' A' ' 32' ' ' THR . 8.1 t -81.88 -13.85 57.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.344 -178.26 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.514 ' HB2' ' O ' ' A' ' 19' ' ' VAL . 34.6 tt0 -67.17 -25.34 66.11 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.616 0.722 . . . . 0.0 109.392 173.563 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.66 -6.17 76.3 Favored Glycine 0 CA--C 1.523 0.582 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.679 173.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -113.24 -57.41 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.671 -0.311 . . . . 0.0 110.937 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.401 ' CD2' ' HA ' ' A' ' 32' ' ' THR . 46.5 m-85 -69.94 137.94 51.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.629 0.252 . . . . 0.0 110.518 177.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -75.75 -38.58 58.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.109 0.481 . . . . 0.0 109.909 178.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 p -104.59 126.96 52.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.562 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -65.54 -19.86 66.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.375 -175.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -61.28 -47.13 87.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.985 0.422 . . . . 0.0 110.23 177.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.96 -34.8 78.93 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.35 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.542 HG23 ' HB3' ' A' ' 22' ' ' SER . 13.3 m -55.62 -58.37 8.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.67 176.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.661 HG23 HD23 ' A' ' 47' ' ' LEU . 71.7 mt -62.06 -36.46 74.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.824 -178.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.2 t -61.37 -40.79 95.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.665 -177.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.409 ' O ' ' HD2' ' A' ' 38' ' ' PRO . 43.5 m -80.36 -28.49 38.02 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -176.627 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 32' ' ' THR . 74.3 mt -79.17 -27.14 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.809 0.338 . . . . 0.0 111.515 -176.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.581 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -54.79 -53.71 57.66 Favored Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -177.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.581 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 5.6 Cg_exo -77.65 -7.83 16.81 Favored 'Trans proline' 0 C--N 1.356 0.974 0 C-N-CA 122.334 2.022 . . . . 0.0 112.163 -179.249 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -74.22 -39.56 63.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.169 0.509 . . . . 0.0 110.098 178.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.9 mt -96.53 -41.46 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.414 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.61 48.88 0.57 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.066 -178.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.41 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 83.5 m -141.95 174.09 10.91 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.386 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.0 p -93.25 148.37 35.5 Favored Pre-proline 0 C--N 1.318 -0.781 0 C-N-CA 121.182 -0.207 . . . . 0.0 110.732 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.94 -35.75 90.35 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.88 2.387 . . . . 0.0 112.443 -178.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.527 ' O ' HG23 ' A' ' 49' ' ' VAL . 11.5 mm-40 -61.37 -43.59 98.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.293 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.4 m -65.16 -43.23 92.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.894 0.378 . . . . 0.0 110.713 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.661 HD23 HG23 ' A' ' 33' ' ' ILE . 53.0 tp -65.75 -38.43 89.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.425 178.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -58.28 -42.73 87.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.497 177.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 45' ' ' GLU . 91.2 t -64.13 -42.83 96.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.009 178.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 48.5 m0 -59.43 -41.33 89.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.813 0.339 . . . . 0.0 111.089 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 47' ' ' LEU . 57.9 t -62.3 -48.92 86.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.557 178.509 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 36.6 ttm-85 -63.21 -38.28 90.56 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.151 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -66.78 -30.16 70.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.697 0.284 . . . . 0.0 110.93 177.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -71.15 -32.1 68.53 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 175.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -67.4 -41.86 84.25 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 174.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.456 ' HA ' ' CA ' ' A' ' 60' ' ' GLY . 46.3 ttp180 -61.43 -41.73 97.64 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.937 176.332 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -55.37 -45.82 76.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.378 178.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.3 m -76.22 -40.92 50.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.035 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -177.74 80.88 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.305 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.456 ' CA ' ' HA ' ' A' ' 56' ' ' ARG . . . -83.92 -32.07 24.74 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.85 -0.69 . . . . 0.0 111.742 179.259 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -129.05 -73.41 0.58 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 175.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.0 t70 54.04 91.96 0.02 OUTLIER 'General case' 0 C--O 1.234 0.263 0 O-C-N 124.265 0.978 . . . . 0.0 112.621 174.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.4 ' O ' HG22 ' A' ' 66' ' ' THR . . . 141.27 -153.77 24.16 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.966 176.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.27 -97.12 1.88 Allowed Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.528 177.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.706 ' H ' HD23 ' A' ' 65' ' ' LEU . 2.7 pt? -109.88 -6.73 15.13 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.547 0.203 . . . . 0.0 111.547 -176.15 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 63' ' ' GLY . 11.4 t -83.36 -25.81 31.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.002 0.43 . . . . 0.0 110.681 -178.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 p -88.4 94.72 9.95 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 121.291 0.567 . . . . 0.0 110.737 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.68 81.36 3.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.901 -175.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -176.73 130.6 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.097 174.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -126.14 -60.59 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 173.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -135.35 121.09 19.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.329 178.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -82.41 76.09 9.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.179 0.514 . . . . 0.0 111.33 -178.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.5 tp -167.03 -65.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.428 175.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.7 pttt -94.4 39.5 1.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.8 0.809 . . . . 0.0 109.201 173.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.524 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 2.4 tm-20 -64.41 -49.28 72.61 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 114.288 -1.323 . . . . 0.0 112.683 -175.578 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.524 ' HD3' ' HB3' ' A' ' 75' ' ' GLU . 34.8 Cg_exo -63.71 -10.58 22.81 Favored 'Trans proline' 0 C--N 1.36 1.156 0 C-N-CA 122.266 1.977 . . . . 0.0 113.07 -178.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 65.5 112.53 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.741 0.651 . . . . 0.0 111.569 178.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -106.88 9.96 30.73 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.078 0.466 . . . . 0.0 110.57 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -75.54 92.39 2.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.416 174.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -84.41 9.92 12.04 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.285 0.564 . . . . 0.0 110.665 -177.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -124.5 145.44 49.54 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -73.71 173.55 9.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.847 0.356 . . . . 0.0 111.187 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.2 mp -75.0 173.02 11.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.212 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -152.91 171.39 18.38 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.765 0.317 . . . . 0.0 110.752 -176.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 85' ' ' ARG . 14.8 ttm180 -117.27 85.7 2.38 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 170.512 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 26.7 m -52.67 109.26 0.38 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.168 0.509 . . . . 0.0 111.822 -173.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -143.42 142.72 31.33 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 177.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -106.74 94.76 5.3 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.064 0.459 . . . . 0.0 111.052 -175.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 69.2 mt -117.08 106.74 20.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.5 174.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.6 mp -106.57 -108.02 0.31 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.161 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.464 ' HD3' ' HA ' ' A' ' 91' ' ' ARG . 20.3 mmt180 -126.69 114.41 17.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.827 0.346 . . . . 0.0 110.567 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.911 ' HG ' ' H ' ' A' ' 93' ' ' ALA . 17.6 tp -158.36 -159.35 0.79 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.253 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.911 ' H ' ' HG ' ' A' ' 92' ' ' LEU . . . 68.0 86.75 0.13 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.32 0.581 . . . . 0.0 111.291 178.45 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 42.7 t -81.9 -63.36 1.4 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.519 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -163.78 167.96 20.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.329 -0.396 . . . . 0.0 109.943 -178.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -165.07 147.09 7.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.074 0.464 . . . . 0.0 111.374 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -116.03 135.26 54.12 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 170.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.97 74.2 5.49 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -172.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 55.7 25.87 8.71 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.657 172.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.87 -60.53 1.84 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 176.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -94.15 120.74 34.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.379 175.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -86.68 131.36 34.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.661 -176.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -99.2 105.12 17.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.832 0.349 . . . . 0.0 111.464 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 104' ' ' ARG . 16.5 ptt180 -122.82 117.82 26.54 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 170.43 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.3 mp -106.13 -36.83 6.79 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.272 -175.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 24.6 p-90 -128.11 29.61 5.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.884 -172.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -120.63 128.21 52.8 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.292 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.578 -0.725 . . . . 0.0 110.235 178.393 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.3 ttm . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.0 m 45.83 78.42 0.07 Allowed 'General case' 0 CA--C 1.53 0.178 0 O-C-N 123.891 0.745 . . . . 0.0 111.878 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -98.07 7.69 45.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.292 0.568 . . . . 0.0 110.166 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -76.68 88.69 3.35 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.22 -1.029 . . . . 0.0 108.22 169.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.0 m -88.93 105.33 17.7 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.517 0.675 . . . . 0.0 112.127 -170.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.7 ttm-85 -125.36 141.07 52.28 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.116 -0.947 . . . . 0.0 108.846 171.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -68.16 99.17 0.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.49 0.662 . . . . 0.0 111.323 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.2 m -66.27 158.51 77.09 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.418 177.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -47.88 -50.47 11.67 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.16 2.573 . . . . 0.0 113.199 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -57.56 -37.61 73.4 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.733 0.301 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.452 HG13 HG21 ' A' ' 40' ' ' ILE . 88.2 t -63.41 -43.8 98.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.519 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -64.51 -46.84 81.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.184 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -62.46 -41.67 98.92 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.496 178.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.419 ' O ' ' HG3' ' A' ' 18' ' ' MET . 5.7 tpp180 -56.75 -51.54 68.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.33 178.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.509 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -56.26 -54.3 47.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.372 -177.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 72.5 t -57.31 -44.67 84.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.499 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 47.7 ttt85 -63.98 -46.21 85.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.947 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.419 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 87.8 mtp -61.11 -35.78 77.94 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.907 0.384 . . . . 0.0 110.92 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 15' ' ' ALA . 69.7 t -63.76 -42.3 95.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.422 176.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.8 mt -67.35 -42.51 83.39 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.844 0.354 . . . . 0.0 110.776 179.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 17' ' ' ARG . 44.7 mt-10 -57.76 -44.83 86.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.038 177.434 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.499 ' HB2' HG23 ' A' ' 32' ' ' THR . 16.4 m -78.77 -16.73 56.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.99 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -67.84 -28.93 67.98 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 175.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.59 3.52 59.44 Favored Glycine 0 CA--C 1.523 0.543 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.484 174.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -121.71 -45.57 2.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.982 0.42 . . . . 0.0 110.475 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -85.86 154.57 21.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.46 177.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -91.19 -21.81 20.95 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.37 0.605 . . . . 0.0 109.497 175.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.3 m -127.12 117.33 22.19 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.001 -178.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -59.97 -19.03 50.03 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.108 178.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.9 t-105 -52.58 -45.57 66.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.531 177.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.59 -30.25 59.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.822 -178.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.499 HG23 ' HB2' ' A' ' 22' ' ' SER . 7.2 m -62.2 -49.23 76.61 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.972 -179.317 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.837 HG23 HD23 ' A' ' 47' ' ' LEU . 98.8 mt -55.68 -47.83 78.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.077 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 54.3 m -69.72 -15.04 63.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.646 -0.707 . . . . 0.0 112.117 -174.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.2 m -98.13 -36.19 10.15 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.715 -177.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.3 mt -85.66 -28.64 6.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.637 0.256 . . . . 0.0 111.512 -175.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.414 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -53.03 -52.81 61.96 Favored Pre-proline 0 CA--C 1.539 0.556 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 55.6 Cg_endo -69.64 -14.05 35.89 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.019 1.813 . . . . 0.0 113.209 -178.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -72.92 -49.64 28.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.995 0.426 . . . . 0.0 110.581 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.452 HG21 HG13 ' A' ' 11' ' ' VAL . 37.4 mt -86.74 -24.52 6.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.129 0.49 . . . . 0.0 110.361 -178.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.09 43.09 6.43 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.562 -179.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 86.4 m -122.54 152.22 40.59 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.908 0.385 . . . . 0.0 110.487 -178.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.438 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -66.72 125.56 90.86 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.322 179.333 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 43' ' ' THR . 32.7 Cg_exo -59.23 -30.24 92.45 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.91 2.407 . . . . 0.0 112.109 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -64.56 -40.94 96.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.565 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.4 m -67.48 -32.9 74.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.324 178.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.837 HD23 HG23 ' A' ' 33' ' ' ILE . 49.6 tp -63.76 -37.64 88.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.054 178.011 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 36.3 mtt180 -58.76 -38.97 79.65 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.229 0.538 . . . . 0.0 110.139 175.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.6 t -66.12 -42.89 92.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.583 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 30.9 m0 -61.13 -36.15 78.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.836 178.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 47' ' ' LEU . 87.9 t -59.42 -49.65 82.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.138 175.492 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -60.95 -53.12 61.13 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.473 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -61.15 -45.52 94.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.621 -173.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -66.9 -48.55 68.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.532 0.206 . . . . 0.0 111.349 -175.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -74.1 -20.91 60.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.841 0.353 . . . . 0.0 111.199 -174.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.1 -32.5 19.89 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.438 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -68.17 -51.41 46.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.682 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.1 m -80.55 78.5 7.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.256 0.55 . . . . 0.0 110.26 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 132.71 -115.54 1.61 Allowed Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 -176.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.71 -177.38 16.56 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.807 176.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -104.56 150.21 24.83 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -68.21 -62.67 1.29 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.908 0.385 . . . . 0.0 110.841 -176.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.1 2.87 54.66 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.045 177.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -134.56 158.2 23.33 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.367 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 64.3 tp -76.34 -60.18 2.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.195 0.522 . . . . 0.0 109.638 176.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.0 m -128.18 25.56 5.84 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 175.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 21.3 m 64.17 -92.86 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 114.301 -1.318 . . . . 0.0 110.091 -173.403 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 67' ' ' THR . . . 167.1 -70.82 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 123.915 0.886 . . . . 0.0 109.239 179.531 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -155.16 135.03 12.84 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.103 -0.953 . . . . 0.0 108.865 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 70' ' ' ARG . 11.6 ttp85 -58.7 -55.13 39.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.82 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -103.93 95.01 5.71 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.162 0.506 . . . . 0.0 110.44 175.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 58.4 ttp85 -86.48 102.8 14.42 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.171 178.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.0 mt -98.23 22.35 9.69 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -169.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -139.67 149.02 43.2 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.768 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 67.01 113.72 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.304 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.844 174.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.4 112.18 1.67 Allowed 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.562 2.174 . . . . 0.0 111.138 174.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.85 153.84 31.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.124 -175.32 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.513 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 9.3 ttp180 -107.93 -72.46 0.72 Allowed 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.62 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 78' ' ' ARG . 5.2 mm-40 -169.52 29.0 0.02 OUTLIER 'General case' 0 C--O 1.235 0.335 0 C-N-CA 124.339 1.056 . . . . 0.0 108.483 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -76.19 88.94 3.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.929 -172.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -103.08 11.85 36.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.182 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -72.19 146.31 47.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.364 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 89.1 mt -102.8 -160.62 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.932 0.396 . . . . 0.0 111.117 -177.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.0 mtt-85 -100.2 -178.63 3.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.938 -177.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -78.9 13.49 1.71 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.0 0.428 . . . . 0.0 111.563 -178.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.1 p -98.06 -54.73 2.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.611 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 21.0 m120 59.91 -156.01 0.35 Allowed 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.331 0.395 . . . . 0.0 110.166 -176.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -116.95 131.65 56.9 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 174.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 27.9 pt -134.66 1.72 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.861 0.362 . . . . 0.0 111.053 -178.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 56.0 tp -125.25 130.88 52.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.814 -175.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -71.44 116.23 11.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.911 176.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.4 mt -104.77 -168.91 1.54 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.071 -176.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 67.44 -85.15 0.03 OUTLIER 'General case' 0 C--O 1.235 0.308 0 O-C-N 124.031 0.832 . . . . 0.0 111.791 178.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.1 p -136.27 99.23 4.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.316 0.579 . . . . 0.0 111.589 -176.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.36 -70.74 0.48 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 173.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -144.01 144.8 31.82 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.246 173.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -97.94 115.64 28.55 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.48 -26.97 67.43 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.912 -174.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.406 ' HB3' ' HG3' ' A' ' 101' ' ' GLU . 54.8 mttp 72.59 -46.07 0.64 Allowed 'General case' 0 N--CA 1.473 0.686 0 O-C-N 123.807 0.692 . . . . 0.0 111.589 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 68.62 24.35 6.9 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 123.439 0.696 . . . . 0.0 111.291 178.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.406 ' HG3' ' HB3' ' A' ' 99' ' ' LYS . 40.0 mt-10 -75.4 122.99 24.62 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 174.369 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -87.42 111.22 20.9 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 -166.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.422 ' CG ' ' H ' ' A' ' 104' ' ' ARG . 3.2 t70 67.95 -165.94 0.2 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 114.689 -1.141 . . . . 0.0 112.346 168.315 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.422 ' H ' ' CG ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER 68.1 70.43 0.32 Allowed 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.67 0.788 . . . . 0.0 110.299 -173.644 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 44.8 tp -84.49 -62.06 1.64 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.516 -178.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -91.31 107.45 19.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.076 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -63.25 -53.79 47.5 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.545 -176.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 65.4 tttm . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.454 -0.784 . . . . 0.0 109.583 178.487 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p -61.72 107.02 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -175.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.6 mttp -133.4 -0.51 3.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.369 167.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -90.33 -0.39 57.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.971 177.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.6 m -70.24 88.9 0.63 Allowed 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.519 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 22.3 tpp85 -104.11 145.17 30.57 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.053 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -66.23 123.26 19.45 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 176.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.4 m -55.39 136.9 69.33 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.47 -32.84 75.22 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.134 2.556 . . . . 0.0 112.061 -178.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -59.68 -43.41 94.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.053 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.4 t -69.22 -44.3 80.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.311 -178.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -62.23 -41.8 98.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.511 178.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -66.38 -47.83 72.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.554 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -60.89 -37.41 82.11 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.51 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -56.8 -60.61 3.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 178.685 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.6 t -58.95 -40.19 79.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.548 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -55.78 -54.21 47.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.41 178.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 70.7 mtm -66.49 -31.29 71.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.566 -175.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 15' ' ' ALA . 96.8 t -66.31 -40.57 87.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.874 0.369 . . . . 0.0 110.865 177.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.6 mt -68.14 -47.57 67.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.343 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -66.47 -28.83 68.89 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -176.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.2 p -80.89 -32.14 34.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.123 0.487 . . . . 0.0 110.194 176.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.4 tm0? -64.4 -19.93 65.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.541 175.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.4 -13.94 61.28 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.77 175.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -119.47 -45.55 2.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.91 0.355 . . . . 0.0 110.933 178.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -78.82 136.1 37.25 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.111 178.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -70.66 -44.09 67.78 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.208 0.527 . . . . 0.0 110.669 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.6 t -89.58 122.18 32.48 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.349 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.563 ' O ' HG13 ' A' ' 33' ' ' ILE . 52.6 tt0 -74.48 -22.21 59.2 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.476 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -66.41 -29.39 69.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.65 175.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.6 -32.15 63.94 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.091 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.0 p -77.96 -31.06 50.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.809 0.338 . . . . 0.0 110.353 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 29' ' ' GLN . 75.8 mt -56.73 -49.37 78.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 177.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.7 p -80.07 -7.63 58.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.79 0.328 . . . . 0.0 111.215 -179.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.414 ' O ' ' HD2' ' A' ' 38' ' ' PRO . 22.3 t -92.36 -37.56 12.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.991 0.425 . . . . 0.0 110.534 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.8 mp -87.45 -22.44 6.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.987 -178.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.513 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -49.19 -48.81 72.87 Favored Pre-proline 0 CA--C 1.542 0.667 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 178.416 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.513 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 20.2 Cg_exo -66.22 -21.82 54.54 Favored 'Trans proline' 0 C--N 1.358 1.051 0 C-N-CA 122.068 1.845 . . . . 0.0 112.643 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -75.95 -32.27 59.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.041 0.448 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.6 mt -89.3 -36.53 8.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.932 176.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.52 36.87 4.7 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -176.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.0 p -129.27 173.59 10.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.076 0.465 . . . . 0.0 111.069 -176.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.4 m -87.34 144.44 35.89 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.253 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -43.37 -44.3 10.45 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.116 2.544 . . . . 0.0 112.93 175.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.521 ' O ' HG23 ' A' ' 49' ' ' VAL . 8.9 tp10 -58.47 -46.93 85.64 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.886 0.374 . . . . 0.0 110.864 176.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.6 m -58.04 -39.4 78.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.859 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 33' ' ' ILE . 41.8 tp -68.01 -38.09 82.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.207 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.407 HH21 ' CD ' ' A' ' 45' ' ' GLU . 28.5 ttp180 -66.48 -32.89 74.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.262 177.28 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.595 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 90.5 t -59.58 -46.55 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.597 176.4 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -62.71 -39.37 93.81 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.894 0.378 . . . . 0.0 110.843 178.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 47' ' ' LEU . 89.8 t -64.3 -40.36 88.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.22 176.139 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -64.49 -36.35 83.9 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.655 178.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.595 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 84.0 mm-40 -62.01 -44.48 96.64 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 176.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.561 ' HA ' ' HB3' ' A' ' 57' ' ' ASP . 81.1 t60 -70.81 -29.39 65.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.51 178.462 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -59.5 -46.12 89.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.149 176.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -75.65 -36.37 60.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.778 0.323 . . . . 0.0 110.478 177.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.561 ' HB3' ' HA ' ' A' ' 54' ' ' HIS . 6.3 t70 -52.15 -45.55 65.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.774 177.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.1 m -102.83 -15.84 16.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.501 -176.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -94.07 -8.93 59.91 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.755 -0.736 . . . . 0.0 113.448 -175.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 129.57 132.1 3.44 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.363 177.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -69.18 150.91 46.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.266 0.555 . . . . 0.0 111.231 -178.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -122.26 -161.67 0.95 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.14 29.33 73.31 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.134 -0.555 . . . . 0.0 112.325 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -125.0 79.56 0.36 Allowed Glycine 0 N--CA 1.45 -0.413 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.1 tp 72.14 4.09 4.9 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.697 0.761 . . . . 0.0 110.093 -176.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.535 HG22 ' HD2' ' A' ' 70' ' ' ARG . 17.9 p -93.68 123.22 36.86 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.499 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 27.9 p -133.62 -87.84 0.41 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.381 0.61 . . . . 0.0 110.433 -178.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -146.2 13.65 1.27 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.395 176.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -154.35 91.48 1.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.191 -176.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.535 ' HD2' HG22 ' A' ' 66' ' ' THR . 78.7 ttt180 -127.05 -48.91 1.46 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.647 175.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -80.39 82.13 6.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.459 177.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 55.9 ttt180 -132.59 15.46 4.43 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.466 -177.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.0 tt -78.81 107.15 11.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.899 -176.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -101.67 147.79 26.02 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.079 176.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 63.04 86.63 0.14 Allowed Pre-proline 0 CA--C 1.53 0.193 0 O-C-N 123.954 0.784 . . . . 0.0 110.692 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -83.05 116.34 2.43 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.917 2.411 . . . . 0.0 113.217 -175.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -104.79 120.52 41.58 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 174.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -72.53 -40.98 66.33 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -169.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.76 110.06 2.68 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.237 0.542 . . . . 0.0 110.59 -178.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -74.54 94.94 2.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.563 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 81' ' ' ARG . 39.6 ttp180 -92.56 95.78 9.81 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 177.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -84.17 89.05 7.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.028 -176.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.8 mp 47.67 -103.39 0.1 Allowed 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.877 0.735 . . . . 0.0 110.529 -177.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -106.37 -59.19 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 172.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 40.9 ttt85 -178.58 161.94 1.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.09 -0.959 . . . . 0.0 108.435 176.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.7 m -76.74 11.48 1.68 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 120.729 0.3 . . . . 0.0 110.814 176.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 64.32 -89.32 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.33 0.652 . . . . 0.0 111.465 -178.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -125.14 -166.25 1.51 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 -177.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 27.7 pt -136.31 179.72 3.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.785 0.326 . . . . 0.0 110.828 -177.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.814 ' H ' HD23 ' A' ' 90' ' ' LEU . 1.6 pt? -69.33 111.86 5.5 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 173.099 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -86.97 104.47 16.32 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.38 -173.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 40.8 mt -78.84 89.72 4.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.017 175.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 71.63 154.68 0.14 Allowed 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.994 0.809 . . . . 0.0 110.445 -171.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.7 m -79.4 90.13 5.02 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.692 -176.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 71.01 -54.5 0.66 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.977 175.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 57.81 -143.83 0.65 Allowed 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -177.263 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -99.67 12.69 35.91 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.402 0.62 . . . . 0.0 110.057 176.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.08 -28.34 61.34 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.719 174.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -68.39 151.46 46.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.945 175.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.16 -42.19 21.24 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.785 -177.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -153.5 177.02 11.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.409 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.582 ' HD2' ' HA ' ' A' ' 105' ' ' LEU . 31.8 t80 -99.8 132.28 45.24 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 175.372 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.407 ' C ' ' H ' ' A' ' 105' ' ' LEU . 32.7 t70 -61.67 102.17 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 O-C-N 123.27 0.356 . . . . 0.0 111.771 -175.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 104' ' ' ARG . 46.2 ttm180 72.0 -38.38 0.42 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.834 0.854 . . . . 0.0 112.262 177.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.582 ' HA ' ' HD2' ' A' ' 102' ' ' PHE . 57.7 tp 74.67 -78.7 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 123.5 0.72 . . . . 0.0 110.147 -177.492 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 61.1 t-105 47.77 67.6 0.8 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.484 0.659 . . . . 0.0 110.005 -179.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -107.11 -31.41 8.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.053 -171.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 21.8 tptm . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.505 -0.759 . . . . 0.0 110.27 -179.352 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.0 ptp . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 p -78.67 139.6 38.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.16 0.505 . . . . 0.0 111.218 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -97.61 23.36 7.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.317 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -78.62 63.49 3.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.78 -174.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.2 p -104.18 33.32 3.53 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.543 0.687 . . . . 0.0 109.166 172.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 50.0 mtt180 -95.52 -178.56 4.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.333 -175.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -109.36 159.06 17.3 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 174.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.44 ' HB2' HG23 ' A' ' 11' ' ' VAL . 15.8 m -58.36 143.93 79.01 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 110.399 -0.222 . . . . 0.0 110.399 177.606 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -56.25 -29.28 75.43 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.769 2.313 . . . . 0.0 111.893 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -66.28 -29.84 70.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.44 HG23 ' HB2' ' A' ' 8' ' ' SER . 87.9 t -61.34 -51.6 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.185 -176.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.0 mtm-85 -66.86 -33.54 75.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.952 0.406 . . . . 0.0 110.702 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.6 tm0? -66.13 -52.9 44.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.803 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -69.08 -28.27 66.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.777 -178.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.522 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -61.31 -55.13 35.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.861 178.044 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.411 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 61.4 t -62.77 -36.19 74.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.374 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.5 mmm-85 -56.31 -52.62 63.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.792 174.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 40.8 ttm -61.71 -36.55 81.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.364 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 15' ' ' ALA . 70.1 t -61.2 -47.78 91.97 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.295 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.839 176.275 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 95.4 mt -62.14 -43.8 98.03 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.727 0.299 . . . . 0.0 111.238 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.47 -42.87 97.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.04 0.448 . . . . 0.0 110.854 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.559 ' HB2' HG23 ' A' ' 32' ' ' THR . 48.2 m -78.87 -21.19 47.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -68.65 -31.61 70.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.054 0.454 . . . . 0.0 110.314 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.41 -16.15 73.37 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.254 175.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -100.95 -47.35 4.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.939 0.399 . . . . 0.0 110.422 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -85.9 119.62 26.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.477 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.46 -54.29 42.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.244 178.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.435 ' HB3' ' HE3' ' A' ' 30' ' ' TRP . 19.5 m -88.86 127.44 35.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.46 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.42 ' O ' HG13 ' A' ' 33' ' ' ILE . 32.2 tt0 -58.76 -31.26 68.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.221 -178.606 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.435 ' HE3' ' HB3' ' A' ' 28' ' ' SER . 25.3 m-90 -62.45 -38.56 90.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.14 -34.98 79.29 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.084 0.469 . . . . 0.0 109.94 177.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.559 HG23 ' HB2' ' A' ' 22' ' ' SER . 22.5 m -62.84 -47.61 82.63 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.211 174.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.567 HG23 HD23 ' A' ' 47' ' ' LEU . 70.1 mt -60.82 -49.69 83.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.146 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 86.3 m -65.27 -16.89 64.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.796 -178.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.5 t -87.51 -43.62 11.89 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.894 0.378 . . . . 0.0 110.57 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.419 ' CD1' ' HA ' ' A' ' 19' ' ' VAL . 67.6 mt -88.92 -26.75 5.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -171.382 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.5 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -55.25 -56.2 31.22 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -178.21 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.5 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 69.2 Cg_endo -74.87 -14.18 21.54 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 121.593 1.529 . . . . 0.0 111.844 178.414 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -72.48 -49.41 33.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.689 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.4 mt -83.1 -38.34 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.491 177.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.61 39.84 1.84 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.386 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.1 p -127.31 158.36 37.42 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 33.3 p -75.09 132.72 76.36 Favored Pre-proline 0 C--N 1.32 -0.692 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.372 177.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -51.94 -34.48 56.51 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.495 2.797 . . . . 0.0 112.645 -178.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.453 ' O ' HG23 ' A' ' 49' ' ' VAL . 4.6 mp0 -64.92 -39.35 93.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.96 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.0 m -76.31 -35.21 58.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.015 0.436 . . . . 0.0 110.216 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.567 HD23 HG23 ' A' ' 33' ' ' ILE . 48.9 tp -62.98 -39.85 95.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.075 177.258 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -56.68 -40.39 75.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.299 175.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.542 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 97.5 t -62.59 -51.0 77.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.257 -178.498 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 30.5 m0 -59.05 -37.33 76.76 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 120.688 0.28 . . . . 0.0 111.197 -177.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.5 t -64.95 -50.0 77.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.107 176.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -62.23 -30.62 71.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.476 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.542 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 91.1 mm-40 -68.49 -36.48 78.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.69 0.281 . . . . 0.0 110.83 177.549 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -83.01 -9.91 59.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.124 0.488 . . . . 0.0 110.806 178.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -94.4 -49.96 5.45 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.719 178.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.722 ' HD2' ' HA2' ' A' ' 63' ' ' GLY . 60.6 ttp85 -91.05 -40.71 11.48 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -173.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.521 ' HB3' ' O ' ' A' ' 53' ' ' GLN . 32.9 t70 -76.95 -36.36 56.59 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.248 -175.551 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 34.9 m -72.96 -41.77 64.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.417 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -163.12 60.51 0.27 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.235 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.504 ' HA3' ' HA ' ' A' ' 56' ' ' ARG . . . -121.91 122.6 5.16 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 121.127 -0.558 . . . . 0.0 112.256 -179.329 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -73.3 -35.64 66.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.067 0.461 . . . . 0.0 110.316 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -99.85 146.87 26.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.698 -178.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.722 ' HA2' ' HD2' ' A' ' 56' ' ' ARG . . . -119.5 31.01 5.56 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.206 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.89 149.97 25.26 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.087 179.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.6 mt -82.01 84.87 6.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.053 0.454 . . . . 0.0 110.508 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.2 t -90.61 163.41 14.57 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.418 -179.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.4 t -134.02 17.14 3.82 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.598 0.713 . . . . 0.0 109.983 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.43 161.73 41.93 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.852 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -74.29 139.88 44.53 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 176.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.606 ' HD3' ' H ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -78.15 63.44 3.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.625 0.726 . . . . 0.0 111.1 -176.353 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -175.64 89.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.033 176.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -74.36 104.76 5.23 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.0 0.428 . . . . 0.0 110.783 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 37.7 tp -94.44 -18.7 21.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.138 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.424 ' O ' ' HD3' ' A' ' 74' ' ' LYS . 1.1 tmtp? -73.87 84.06 1.69 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.433 0.635 . . . . 0.0 110.118 177.544 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -158.69 82.77 2.62 Favored Pre-proline 0 C--N 1.321 -0.671 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 176.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -85.49 12.43 3.06 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 123.423 2.749 . . . . 0.0 113.056 -171.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -147.18 151.91 37.53 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.043 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.74 -2.27 0.3 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.865 0.364 . . . . 0.0 111.341 -176.567 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -108.76 5.35 24.62 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.998 -175.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -100.1 32.65 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.086 0.47 . . . . 0.0 110.623 -176.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -81.01 75.11 8.0 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -77.07 84.82 3.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.835 0.826 . . . . 0.0 111.787 -174.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 98.9 mt -132.78 -61.02 0.86 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.68 -1.145 . . . . 0.0 108.643 174.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 84' ' ' ARG . 7.9 ptp85 -93.21 101.09 13.36 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 169.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -72.18 133.44 45.13 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.077 0.465 . . . . 0.0 110.931 -175.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.5 m -112.64 19.06 17.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.665 0.745 . . . . 0.0 109.472 178.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.508 ' O ' ' HD3' ' A' ' 91' ' ' ARG . 82.5 m-20 -86.04 -15.39 41.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.761 -176.251 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -118.14 -42.7 2.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.803 -176.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 15.8 pt -72.28 94.85 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.39 0.614 . . . . 0.0 111.33 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.2 mp 63.15 75.89 0.38 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.326 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.508 ' HD3' ' O ' ' A' ' 87' ' ' ASN . 35.0 ttp-105 -106.96 138.39 43.21 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.804 177.584 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.4 mp -69.97 145.51 51.79 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 176.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.22 94.14 4.08 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.782 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.9 p -86.8 91.45 8.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.309 0.576 . . . . 0.0 110.313 177.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -137.98 71.41 1.4 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.573 -177.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -168.7 -61.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.411 177.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 56.17 83.28 0.1 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.545 -177.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.78 141.0 58.17 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.385 -173.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.421 ' N ' ' HD2' ' A' ' 99' ' ' LYS . 0.7 OUTLIER -90.62 -0.01 57.53 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.211 179.333 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.95 -19.16 65.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.845 178.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -62.57 -35.92 81.03 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.422 175.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -87.34 102.16 14.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.073 176.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -84.25 129.27 34.9 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.432 0.634 . . . . 0.0 110.758 -174.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.859 ' HB2' ' HB2' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -127.58 114.34 17.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.183 177.813 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 26.4 tp -104.43 -47.65 4.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.231 -170.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -107.96 102.63 11.8 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -171.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.2 tttp 63.07 30.97 16.15 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.068 169.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.859 ' HB2' ' HB2' ' A' ' 104' ' ' ARG . 24.8 mtpp . . . . . 0 C--O 1.241 0.634 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.286 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 . . . . . 0 C--O 1.233 0.196 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 88.0 t -63.25 -39.77 86.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.983 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -63.15 -49.74 73.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.69 0.281 . . . . 0.0 110.734 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -63.52 -42.17 98.47 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.837 0.351 . . . . 0.0 110.634 -178.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.411 ' HD2' HH11 ' A' ' 14' ' ' ARG . 1.1 tmt_? -65.33 -37.07 85.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.108 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -60.92 -54.24 47.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.698 177.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.89 -35.45 60.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.586 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.7 ttt-85 -63.15 -49.19 75.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.246 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 51.3 ttm -61.39 -32.36 72.28 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.911 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 15' ' ' ALA . 84.1 t -61.29 -47.67 92.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.101 175.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.73 -43.11 94.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.388 178.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -53.32 -42.02 66.27 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.387 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.534 ' HB2' HG23 ' A' ' 32' ' ' THR . 15.9 m -85.04 -14.88 45.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.708 -177.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 19' ' ' VAL . 56.3 mt-30 -72.82 -25.74 61.24 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.995 0.426 . . . . 0.0 110.391 174.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.89 -37.17 94.46 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.365 171.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -82.4 -52.97 6.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.959 0.409 . . . . 0.0 110.737 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -106.67 123.73 48.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.337 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -86.77 -12.08 49.14 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.175 0.512 . . . . 0.0 110.257 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.9 m -85.94 106.97 17.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.887 175.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -56.27 -41.84 76.48 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.83 -171.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 6.6 m0 -63.01 -42.48 99.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.995 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.53 -40.56 87.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.175 0.512 . . . . 0.0 110.454 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.534 HG23 ' HB2' ' A' ' 22' ' ' SER . 19.8 m -63.92 -57.87 8.46 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.981 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.44 HG23 HD23 ' A' ' 47' ' ' LEU . 74.7 mt -63.28 -45.0 99.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.034 -173.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.1 t -64.85 -23.95 67.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.903 -174.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.0 m -89.86 -27.34 19.98 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.698 0.258 . . . . 0.0 111.698 -176.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.8 mt -85.4 -35.34 9.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.645 0.259 . . . . 0.0 111.601 -175.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.532 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -49.91 -52.35 52.95 Favored Pre-proline 0 CA--C 1.543 0.699 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -175.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.532 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.7 Cg_exo -66.7 -11.54 32.32 Favored 'Trans proline' 0 C--N 1.359 1.129 0 C-N-CA 122.428 2.085 . . . . 0.0 113.245 -176.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -85.9 -39.12 17.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.105 0.478 . . . . 0.0 110.737 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 62.8 mt -85.64 -29.77 6.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.583 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.11 47.64 1.22 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.796 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.435 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 14.7 p -145.99 172.9 12.7 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.3 p -92.62 148.65 36.61 Favored Pre-proline 0 C--N 1.321 -0.635 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.472 176.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.5 -31.99 95.5 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.49 2.127 . . . . 0.0 111.532 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.509 ' O ' HG23 ' A' ' 49' ' ' VAL . 30.1 mt-10 -63.5 -45.61 89.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.637 178.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.8 m -71.92 -39.35 69.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.619 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.44 HD23 HG23 ' A' ' 33' ' ' ILE . 44.2 tp -62.24 -37.81 86.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.304 178.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -61.55 -41.94 98.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.511 176.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 45' ' ' GLU . 95.4 t -62.06 -42.0 93.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.775 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 42.5 m0 -60.62 -43.64 97.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.095 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 47' ' ' LEU . 62.1 t -64.47 -42.37 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.475 178.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -65.46 -39.83 92.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.673 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -67.89 -38.06 82.53 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -68.23 -19.35 64.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.56 178.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 . . . . . 0 C--N 1.324 -0.508 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 173.101 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 . . . . . 0 C--O 1.233 0.197 0 N-CA-C 111.565 0.209 . . . . 0.0 111.565 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 81.8 t -58.72 -34.89 53.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 121.325 0.584 . . . . 0.0 110.047 176.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.486 ' O ' HG23 ' A' ' 16' ' ' VAL . 45.7 ttp180 -61.76 -49.3 76.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.39 178.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -61.4 -41.74 97.61 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.568 178.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' A' ' 18' ' ' MET . 26.0 ttt-85 -59.6 -43.0 93.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.311 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.458 ' HB1' HD13 ' A' ' 40' ' ' ILE . . . -61.51 -42.84 99.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.962 178.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.552 HG22 ' HB3' ' A' ' 50' ' ' TRP . 59.8 t -62.25 -44.13 98.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.736 178.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -62.61 -37.44 86.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.739 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.493 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 96.0 mmm -56.59 -46.95 80.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.884 0.373 . . . . 0.0 110.331 177.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.506 ' HA ' HG13 ' A' ' 36' ' ' ILE . 47.4 t -63.07 -48.92 85.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.397 178.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.5 mt -59.82 -45.23 93.04 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.893 -177.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -63.03 -41.3 99.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.18 -177.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.0 m -78.09 -27.2 48.43 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.973 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -62.55 -40.59 97.32 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.936 0.398 . . . . 0.0 110.806 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.03 -6.68 89.04 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.732 178.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -92.88 -43.0 9.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.008 0.433 . . . . 0.0 109.834 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -92.03 178.42 5.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.968 176.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -98.9 -45.43 5.98 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.074 0.464 . . . . 0.0 109.939 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.9 m -83.27 120.27 25.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.532 -176.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -67.23 -45.71 75.94 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.873 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -57.9 -50.0 74.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.181 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.22 -43.18 74.25 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.035 177.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.478 ' O ' HG12 ' A' ' 36' ' ' ILE . 73.8 m -59.86 -52.57 64.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.448 177.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.593 HG23 ' HB2' ' A' ' 47' ' ' LEU . 73.2 mt -54.26 -45.03 67.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.276 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.5 t -73.21 -16.86 61.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.609 -176.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.9 m -95.49 -21.5 18.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.776 0.322 . . . . 0.0 111.505 -178.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.506 HG13 ' HA ' ' A' ' 19' ' ' VAL . 47.0 mm -86.19 -27.97 6.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.089 0.471 . . . . 0.0 110.049 177.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.559 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -51.96 -51.95 66.22 Favored Pre-proline 0 CA--C 1.539 0.525 0 CA-C-N 115.439 -0.801 . . . . 0.0 112.697 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.559 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 12.9 Cg_exo -70.23 -21.89 30.69 Favored 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 122.136 1.89 . . . . 0.0 112.525 -178.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -74.89 -33.58 62.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.949 0.404 . . . . 0.0 110.414 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.51 HD12 HD11 ' A' ' 47' ' ' LEU . 62.9 mt -86.8 -43.62 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.311 177.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.92 47.83 0.99 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.804 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.457 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 17.0 p -152.33 170.35 20.28 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -178.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.7 p -76.39 148.18 80.11 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.627 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.585 ' HA ' HD23 ' A' ' 47' ' ' LEU . 40.7 Cg_exo -57.58 -24.47 62.26 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.603 2.202 . . . . 0.0 111.983 177.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -60.27 -38.68 84.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.194 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.5 m -66.96 -37.6 84.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.898 -178.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.593 ' HB2' HG23 ' A' ' 33' ' ' ILE . 3.4 mm? -63.37 -38.36 90.86 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.48 178.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.465 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 78.8 mtt180 -57.44 -45.68 84.43 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 177.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 64.2 t -65.25 -44.78 95.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.355 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.552 ' HB3' HG22 ' A' ' 16' ' ' VAL . 26.8 m0 -61.28 -46.77 88.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.579 -178.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 88.7 t -64.56 -44.19 96.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.845 0.355 . . . . 0.0 110.231 178.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.465 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 5.6 tpt180 -58.57 -52.18 66.74 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.425 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -62.86 -38.18 89.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.093 -177.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -63.41 -38.16 90.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.993 178.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 C--N 1.325 -0.477 0 CA-C-O 120.788 0.328 . . . . 0.0 111.432 -179.096 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 . . . . . 0 C--O 1.227 -0.117 0 CA-C-O 120.58 0.229 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.19 -43.93 99.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.527 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.477 ' O ' HG23 ' A' ' 16' ' ' VAL . 61.5 ttp180 -61.06 -46.29 91.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.469 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -65.53 -41.12 93.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.128 0.489 . . . . 0.0 110.156 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -59.88 -43.19 94.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.007 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.509 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -60.76 -46.5 90.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.163 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 12' ' ' ARG . 85.6 t -56.76 -48.04 81.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.797 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -66.71 -41.3 88.19 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.667 177.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 48.2 ttm -56.95 -38.61 73.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.857 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 15' ' ' ALA . 97.8 t -61.94 -53.11 52.32 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.516 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.572 176.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 92.3 mt -62.18 -43.6 98.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.109 0.481 . . . . 0.0 111.154 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -61.71 -36.97 82.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.694 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.5 m -85.93 -23.73 26.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.702 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -59.22 -41.59 89.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.869 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.12 -33.57 80.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.368 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -83.48 -42.05 17.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.716 0.293 . . . . 0.0 111.25 -178.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -66.2 162.83 19.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.742 0.782 . . . . 0.0 112.472 -176.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.78 -40.0 61.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.831 178.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 p -143.29 163.53 32.74 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.925 0.393 . . . . 0.0 111.901 -173.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -59.49 -52.62 64.81 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.94 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -63.1 -36.89 85.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 -175.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.17 -25.44 67.77 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.998 0.428 . . . . 0.0 111.009 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.4 m -80.94 -44.76 17.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.61 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 76.6 mt -66.49 -47.32 84.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.837 -176.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.8 p -69.88 -18.25 63.4 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -172.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.4 p -93.62 -33.22 13.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.735 0.302 . . . . 0.0 111.562 -178.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.2 mt -83.47 -35.48 11.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.679 -177.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.436 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -52.54 -53.98 47.64 Favored Pre-proline 0 CA--C 1.54 0.59 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -175.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 33.8 Cg_endo -63.48 -22.56 71.07 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.952 1.768 . . . . 0.0 112.129 -179.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -78.7 -20.74 49.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.202 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.8 mt -82.11 -40.23 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.371 0.605 . . . . 0.0 109.769 175.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.15 -9.98 8.85 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.439 -0.8 . . . . 0.0 112.131 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 22.7 p -106.49 -177.57 3.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.767 0.318 . . . . 0.0 110.636 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.1 p -91.08 162.54 32.28 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.923 178.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.477 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 51.0 Cg_exo -55.94 -32.54 86.01 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.796 2.33 . . . . 0.0 112.331 179.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -50.04 -51.46 42.12 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.991 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.2 m -61.2 -42.98 99.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.131 -178.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.418 ' O ' HG23 ' A' ' 51' ' ' VAL . 32.9 tp -69.03 -36.85 78.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -176.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 44' ' ' PRO . 32.1 mtp-105 -55.2 -41.72 72.34 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.932 0.396 . . . . 0.0 110.588 176.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.8 t -65.79 -48.43 82.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.888 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 50.7 m0 -57.51 -47.27 82.4 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.159 -177.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 47' ' ' LEU . 63.6 t -63.42 -47.13 93.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.02 -179.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -65.11 -37.98 89.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.789 -177.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -57.96 -50.57 72.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.022 0.439 . . . . 0.0 110.579 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -66.77 -34.03 76.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.102 -178.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.84 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 . . . . . 0 N--CA 1.464 0.244 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.4 t -60.75 -37.52 76.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.272 176.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.5 mtm180 -69.58 -39.58 77.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.21 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -59.92 -42.75 94.63 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.16 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -58.33 -49.0 78.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.464 175.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.571 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -55.97 -53.73 53.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.391 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.409 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 74.7 t -59.48 -48.59 86.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.324 -178.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.3 mtm180 -65.63 -35.21 80.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.179 -178.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 35.1 ttp -68.53 -32.03 71.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.872 0.368 . . . . 0.0 110.577 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 15' ' ' ALA . 94.4 t -66.85 -43.48 89.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 173.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 87.9 mt -62.51 -44.35 96.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.636 178.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -54.79 -45.22 74.3 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.125 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.5 p -84.12 -26.6 28.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.486 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -64.61 -28.22 69.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.919 0.39 . . . . 0.0 110.586 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.75 1.82 61.2 Favored Glycine 0 CA--C 1.522 0.484 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.349 176.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -119.23 -32.04 4.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.273 0.559 . . . . 0.0 110.183 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -86.62 -170.65 3.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.495 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -114.01 -58.27 2.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.557 177.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.4 m -94.24 135.84 35.19 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.155 -176.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -67.5 -33.04 74.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.208 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.443 ' HH2' ' HD2' ' A' ' 48' ' ' ARG . 72.3 m95 -71.95 -22.37 61.47 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.348 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.66 -32.2 72.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.469 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.3 p -84.25 -43.01 15.3 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.876 177.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.518 ' HA ' HD23 ' A' ' 47' ' ' LEU . 83.1 mt -57.63 -50.63 76.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.495 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.519 ' HA ' ' HB3' ' A' ' 44' ' ' PRO . 67.8 m -72.74 -12.19 60.91 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -175.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.9 t -98.48 -42.89 7.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.743 0.306 . . . . 0.0 110.946 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.5 mt -73.6 -38.72 52.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -174.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.586 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -56.35 -52.61 71.78 Favored Pre-proline 0 CA--C 1.538 0.519 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -177.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.586 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 17.5 Cg_exo -67.85 -19.97 46.07 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 121.856 1.704 . . . . 0.0 112.227 178.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -76.17 -35.76 59.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.676 177.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 72.6 mt -74.74 -52.85 18.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.176 175.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.94 42.94 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.469 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.3 p -153.64 172.91 16.5 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.1 p -87.44 150.0 47.94 Favored Pre-proline 0 C--N 1.319 -0.753 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 177.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.519 ' HB3' ' HA ' ' A' ' 34' ' ' CYS . 7.9 Cg_endo -49.91 -36.59 44.01 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.687 2.925 . . . . 0.0 114.807 -171.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -68.92 -27.77 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.091 -174.611 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.2 m -70.63 -35.8 73.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.135 0.493 . . . . 0.0 110.299 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' A' ' 33' ' ' ILE . 51.7 tp -64.55 -36.95 85.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.132 177.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.443 ' HD2' ' HH2' ' A' ' 30' ' ' TRP . 68.8 ttt180 -60.45 -40.7 92.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.43 176.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 45' ' ' GLU . 57.4 t -59.62 -40.96 83.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.639 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 53.2 m0 -66.6 -42.8 86.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.812 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.423 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 99.0 t -61.85 -44.37 98.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 176.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -54.45 -39.19 67.18 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.2 177.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.623 HE21 ' HA ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -61.84 -47.07 86.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.556 178.01 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -68.72 -27.45 65.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -177.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 51' ' ' VAL . 50.7 mt-10 . . . . . 0 C--N 1.329 -0.31 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 174.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 14' ' ' ARG . 18.7 tp10 . . . . . 0 C--O 1.224 -0.258 0 CA-C-O 120.704 0.288 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.64 -42.13 94.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.394 0.616 . . . . 0.0 110.251 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.492 ' NH2' ' HG2' ' A' ' 53' ' ' GLN . 38.7 ttt180 -61.15 -44.4 97.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.917 177.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -66.14 -41.39 90.51 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.065 177.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 96.0 mtt180 -56.59 -41.92 77.83 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.092 0.245 . . . . 0.0 110.871 177.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.402 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -56.95 -55.66 31.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.761 178.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.443 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 43.5 t -63.62 -39.79 86.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.782 179.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -59.08 -49.27 78.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.262 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 67.1 mtt -61.41 -42.34 98.57 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 120.812 0.339 . . . . 0.0 110.509 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 23' ' ' GLN . 73.7 t -61.0 -46.36 96.79 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.267 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.776 178.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 85.8 mt -62.78 -45.56 92.09 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.597 0.236 . . . . 0.0 111.148 -179.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -62.77 -42.32 99.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.825 0.345 . . . . 0.0 110.463 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.44 ' O ' ' HB3' ' A' ' 25' ' ' GLU . 17.2 m -76.08 -14.91 60.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.629 179.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.704 ' NE2' ' HA ' ' A' ' 29' ' ' GLN . 4.8 tp-100 -83.32 -15.17 51.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.312 0.577 . . . . 0.0 109.568 177.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.54 -6.8 89.11 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 167.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' A' ' 22' ' ' SER . 4.9 tp10 -99.0 -51.43 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.088 -0.556 . . . . 0.0 109.749 178.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -99.58 -176.25 3.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.959 -178.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -116.44 -32.27 5.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.814 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.9 m -87.96 133.03 34.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.984 -177.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.704 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 58.6 tt0 -70.82 -51.01 29.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.881 -173.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.474 ' HD1' ' HD2' ' A' ' 48' ' ' ARG . 27.6 t90 -69.05 -25.76 64.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.605 0.24 . . . . 0.0 110.864 -174.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.73 -34.86 71.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.406 0.622 . . . . 0.0 110.298 176.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.429 ' CG2' ' HB2' ' A' ' 22' ' ' SER . 9.9 m -77.73 -40.38 41.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.107 177.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.636 HG23 ' HB3' ' A' ' 47' ' ' LEU . 50.5 mm -57.93 -49.58 80.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.492 -178.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.1 p -73.64 -5.77 42.51 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -175.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.9 m -98.34 -40.94 8.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.991 0.424 . . . . 0.0 110.808 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.0 mm -83.89 -41.93 16.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.725 -175.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.457 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -53.55 -52.91 62.6 Favored Pre-proline 0 CA--C 1.539 0.555 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -176.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.457 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 37.7 Cg_endo -65.66 -22.61 57.56 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.151 1.901 . . . . 0.0 112.866 -178.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -73.5 -42.3 62.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.834 0.35 . . . . 0.0 110.201 178.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.3 mt -72.03 -34.29 50.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.353 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 112.71 37.79 1.38 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.341 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.3 p -140.16 169.93 16.77 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.408 ' HB ' ' OE2' ' A' ' 45' ' ' GLU . 21.7 p -96.98 151.51 37.78 Favored Pre-proline 0 C--N 1.321 -0.632 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.234 178.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -53.28 -29.16 45.96 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.796 2.997 . . . . 0.0 114.368 -175.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.482 ' O ' HG23 ' A' ' 49' ' ' VAL . 2.4 mp0 -53.3 -54.99 28.36 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.224 0.535 . . . . 0.0 110.566 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.7 m -67.94 -33.39 74.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.287 -175.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.636 ' HB3' HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -61.44 -44.5 97.01 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.474 ' HD2' ' HD1' ' A' ' 30' ' ' TRP . 15.3 mtp180 -65.09 -32.16 73.73 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.327 178.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 45' ' ' GLU . 95.3 t -64.09 -40.96 90.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.455 178.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 34.7 m0 -65.99 -39.94 90.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.955 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 47' ' ' LEU . 60.0 t -64.12 -47.65 89.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.534 178.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.442 ' O ' ' HB3' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -63.85 -29.68 70.85 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.778 178.2 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.492 ' HG2' ' NH2' ' A' ' 12' ' ' ARG . 6.8 tp-100 -66.59 -50.9 61.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.186 177.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -67.43 -26.31 66.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.325 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.442 ' HB3' ' O ' ' A' ' 52' ' ' ARG . 32.8 tt0 . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.818 177.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 . . . . . 0 C--O 1.236 0.387 0 CA-C-O 121.027 0.442 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.5 t -70.51 -44.68 76.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.731 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.404 ' O ' HG23 ' A' ' 16' ' ' VAL . 4.5 ttp180 -62.73 -43.53 98.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.007 -175.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.481 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 72.1 mm-40 -62.8 -50.51 70.73 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.377 177.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.5 ttm-85 -56.81 -46.61 81.52 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.683 0.277 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -58.55 -58.17 9.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.471 -178.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.506 HG11 ' CB ' ' A' ' 54' ' ' HIS . 55.5 t -63.17 -43.13 98.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.765 -174.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 13' ' ' GLN . 56.3 mtp180 -64.9 -31.71 73.07 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.737 -178.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 47.1 ttp -72.14 -38.5 69.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.973 175.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 15' ' ' ALA . 84.5 t -63.1 -45.08 99.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.271 175.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 97.3 mt -63.18 -36.33 83.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.072 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -56.41 -58.2 9.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.816 177.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.5 m -79.73 -8.97 59.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.343 -177.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -68.15 -37.44 81.03 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 173.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.1 -26.73 73.24 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.661 175.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -70.78 -49.53 45.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.996 0.427 . . . . 0.0 110.591 177.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -85.71 165.47 16.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.274 0.559 . . . . 0.0 111.896 -177.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -82.64 -55.34 4.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.641 176.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.8 m -97.53 133.18 42.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.808 -176.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -60.87 -43.9 97.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.773 -175.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 52.2 p-90 -59.3 -28.43 66.77 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.334 -176.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.04 -31.31 70.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.944 0.402 . . . . 0.0 110.811 -178.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.8 m -80.42 -44.35 19.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.319 0.58 . . . . 0.0 110.501 177.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.65 HG23 HD23 ' A' ' 47' ' ' LEU . 70.8 mt -60.86 -45.85 97.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.357 -0.838 . . . . 0.0 112.14 -175.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.7 p -69.99 -9.55 55.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 111.75 -177.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.8 t -98.38 -13.18 20.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.995 0.426 . . . . 0.0 110.819 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.7 mt -108.62 -35.95 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 122.243 -0.285 . . . . 0.0 111.541 -176.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.72 -53.21 56.77 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 112.667 0.618 . . . . 0.0 112.667 -177.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.26 -12.67 30.24 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 121.872 1.715 . . . . 0.0 112.66 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -82.99 -36.64 24.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.524 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 68.0 mt -83.76 -52.13 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.499 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.46 47.1 0.11 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.956 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.3 p -146.9 171.65 14.89 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.0 p -87.75 158.84 50.3 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.527 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 51.6 Cg_exo -54.01 -34.51 77.52 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.487 2.125 . . . . 0.0 111.322 175.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.478 ' O ' HG23 ' A' ' 49' ' ' VAL . 32.4 tt0 -65.74 -52.02 54.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.473 177.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.9 m -56.44 -42.13 77.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.527 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.65 HD23 HG23 ' A' ' 33' ' ' ILE . 26.9 tp -68.67 -37.1 79.34 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.708 -179.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.633 ' HG2' HD13 ' A' ' 33' ' ' ILE . 10.7 mtp180 -61.17 -40.59 94.48 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.758 0.313 . . . . 0.0 110.251 175.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 45' ' ' GLU . 84.5 t -60.45 -44.16 95.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.724 178.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 42.9 m0 -63.31 -43.14 98.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.57 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 47' ' ' LEU . 58.0 t -63.74 -46.21 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.859 0.362 . . . . 0.0 110.227 177.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -60.55 -39.06 86.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.331 178.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -68.27 -33.89 75.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.179 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.506 ' CB ' HG11 ' A' ' 16' ' ' VAL . 11.0 t-80 -63.91 -43.2 96.64 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 C--N 1.325 -0.484 0 CA-C-O 121.377 0.608 . . . . 0.0 110.102 175.572 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 . . . . . 0 N--CA 1.456 -0.155 0 CA-C-O 120.368 0.128 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.2 t -65.99 -42.5 91.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.971 0.415 . . . . 0.0 110.051 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.547 ' O ' HG23 ' A' ' 16' ' ' VAL . 46.8 mtp180 -62.4 -39.68 94.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.038 176.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -67.53 -39.09 85.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.914 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -56.42 -43.26 79.2 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.436 175.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.487 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -60.76 -53.74 53.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.565 176.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.582 ' HA ' HG22 ' A' ' 51' ' ' VAL . 60.8 t -55.68 -51.21 61.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.157 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 17' ' ' ARG . 26.4 ttt180 -59.66 -53.37 58.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.257 -178.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 30.5 ttp -60.91 -32.39 71.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.162 -173.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.504 ' O ' ' HB2' ' A' ' 23' ' ' GLN . 74.1 t -65.47 -49.54 77.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 121.136 -0.226 . . . . 0.0 110.685 176.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.6 mt -68.65 -41.81 78.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.286 0.565 . . . . 0.0 110.737 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -59.01 -46.17 88.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.466 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.5 m -80.47 -12.16 59.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.59 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.504 ' HB2' ' O ' ' A' ' 19' ' ' VAL . 7.4 tt0 -78.67 -15.76 58.1 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 176.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.1 -24.91 73.39 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.311 -0.947 . . . . 0.0 110.922 167.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -93.31 -47.79 6.74 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -91.75 121.96 33.87 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.576 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -69.54 -31.6 69.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.016 -178.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.4 m -101.12 117.68 35.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.884 0.373 . . . . 0.0 110.494 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -61.55 -38.1 86.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.229 -175.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 41.8 p-90 -62.06 -30.45 70.99 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.688 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.47 -34.29 72.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.097 0.475 . . . . 0.0 110.168 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.8 m -69.21 -43.44 74.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.044 177.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.681 HG23 HD23 ' A' ' 47' ' ' LEU . 76.7 mt -60.7 -45.68 97.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.047 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 83.7 m -65.53 -25.4 67.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.862 -176.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.0 p -92.87 -25.89 17.88 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -177.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.411 ' O ' ' HB2' ' A' ' 39' ' ' LYS . 59.3 mt -89.66 -28.53 5.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.563 -178.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.442 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -52.74 -51.97 68.81 Favored Pre-proline 0 CA--C 1.541 0.616 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.442 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 51.3 Cg_endo -69.14 -8.04 22.52 Favored 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 122.067 1.844 . . . . 0.0 112.881 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 36' ' ' ILE . 72.1 mmtt -84.4 -36.78 22.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.263 0.554 . . . . 0.0 109.946 175.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 65.4 mt -79.34 -39.89 21.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.118 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.26 39.43 5.1 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -177.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 79.1 m -145.95 176.45 9.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.57 -0.315 . . . . 0.0 110.216 -178.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.673 ' HB ' ' HG2' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -74.66 135.99 74.58 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.574 -179.5 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 43' ' ' THR . 36.2 Cg_exo -57.19 -35.69 98.95 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.957 2.438 . . . . 0.0 112.056 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.673 ' HG2' ' HB ' ' A' ' 43' ' ' THR . 14.4 pt-20 -57.37 -42.88 82.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.037 177.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 m -67.68 -36.28 80.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.078 0.466 . . . . 0.0 110.502 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.681 HD23 HG23 ' A' ' 33' ' ' ILE . 52.3 tp -59.34 -44.24 92.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.457 177.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.0 ttt85 -65.64 -34.89 79.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.684 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 45' ' ' GLU . 87.2 t -62.58 -45.16 99.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.817 177.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.5 ' CE3' ' HA ' ' A' ' 47' ' ' LEU . 19.1 m0 -57.27 -47.9 80.25 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.734 0.302 . . . . 0.0 111.059 179.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.582 HG22 ' HA ' ' A' ' 16' ' ' VAL . 57.9 t -60.51 -47.68 91.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.528 179.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 52' ' ' ARG . 46.0 ttt180 -61.45 -48.34 81.58 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.666 -177.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -65.09 -33.87 77.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.738 -178.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 37.7 t60 -68.88 -27.93 66.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.336 179.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.561 ' HG3' ' O ' ' A' ' 51' ' ' VAL . 50.0 mt-10 . . . . . 0 C--O 1.233 0.216 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 174.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 . . . . . 0 CA--C 1.527 0.081 0 CA-C-O 120.709 0.29 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.2 t -69.05 -47.03 77.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.508 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -64.56 -43.71 93.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -62.44 -44.14 97.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.265 178.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 14' ' ' ARG . 34.6 ttt180 -60.46 -41.63 94.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.665 179.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.545 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -59.93 -56.79 17.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.899 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.416 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 62.8 t -58.85 -43.18 87.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.606 -179.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.475 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 60.9 ttm-85 -59.02 -49.91 76.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.802 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 40.6 ttp -66.0 -31.53 72.48 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.085 -177.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 15' ' ' ALA . 78.3 t -61.91 -46.98 95.3 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.747 0.308 . . . . 0.0 110.291 175.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 76.5 mt -63.63 -43.22 97.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.254 178.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 17' ' ' ARG . 16.0 mm-40 -56.29 -42.75 78.01 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.168 177.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.475 ' HB2' HG23 ' A' ' 32' ' ' THR . 16.0 m -78.29 -31.44 48.95 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.961 -178.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -63.55 -20.45 65.64 Favored 'General case' 0 C--O 1.226 -0.137 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 177.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.05 -8.87 18.78 Favored Glycine 0 CA--C 1.525 0.684 0 CA-C-N 115.719 -0.673 . . . . 0.0 113.406 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -124.12 -30.77 3.43 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 117.18 0.49 . . . . 0.0 110.608 174.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.456 ' HD2' ' O ' ' A' ' 22' ' ' SER . 59.7 m-85 -73.1 156.39 38.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.952 0.406 . . . . 0.0 110.957 178.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -84.86 -26.05 27.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.198 0.523 . . . . 0.0 110.63 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.549 ' HB2' ' HE3' ' A' ' 30' ' ' TRP . 6.1 p -138.86 143.91 38.99 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.07 -176.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.438 HE22 HG11 ' A' ' 51' ' ' VAL . 51.2 tt0 -59.87 -36.67 77.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.777 177.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.549 ' HE3' ' HB2' ' A' ' 28' ' ' SER . 27.2 m-90 -62.43 -39.9 94.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.127 -177.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.96 -38.33 90.66 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.039 0.447 . . . . 0.0 110.345 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.475 HG23 ' HB2' ' A' ' 22' ' ' SER . 24.0 m -64.1 -48.34 76.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.713 176.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.695 HG23 HD23 ' A' ' 47' ' ' LEU . 80.9 mt -57.1 -43.2 80.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.41 -178.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 63.2 m -66.22 -17.17 64.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.796 -178.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.2 m -98.55 -36.77 9.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.028 0.442 . . . . 0.0 111.071 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.5 mm -80.44 -38.39 17.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.798 -175.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.568 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -55.22 -51.43 79.79 Favored Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -176.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.568 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 16.7 Cg_exo -68.36 -25.96 35.55 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 121.974 1.783 . . . . 0.0 112.116 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -68.38 -44.1 75.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.367 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.6 mt -81.06 -38.13 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.041 0.448 . . . . 0.0 110.724 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.74 53.08 0.93 Allowed Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -177.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.8 p -146.26 153.33 40.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.71 0.291 . . . . 0.0 110.878 -176.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.505 ' HB ' ' OG1' ' A' ' 46' ' ' THR . 43.8 m -64.71 130.41 94.75 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.373 176.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.51 -41.66 71.68 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.831 2.354 . . . . 0.0 112.573 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.543 ' O ' HG23 ' A' ' 49' ' ' VAL . 45.9 mt-10 -67.09 -32.79 74.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.505 ' OG1' ' HB ' ' A' ' 43' ' ' THR . 19.2 m -67.79 -37.35 81.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.144 0.497 . . . . 0.0 110.279 176.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.695 HD23 HG23 ' A' ' 33' ' ' ILE . 46.9 tp -62.17 -38.0 87.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.817 176.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -60.06 -44.4 94.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.137 174.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 45' ' ' GLU . 49.7 t -60.06 -41.63 87.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.64 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 53.0 m0 -62.12 -43.95 97.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.438 HG11 HE22 ' A' ' 29' ' ' GLN . 56.1 t -67.37 -41.29 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.19 177.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.1 ttm-85 -59.66 -49.89 75.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.54 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.31 -47.27 86.03 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -56.57 -40.49 75.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.384 -178.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.572 -175.686 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 . . . . . 0 C--O 1.218 -0.565 0 N-CA-C 111.263 0.097 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 87.3 t -57.41 -47.51 84.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.864 0.364 . . . . 0.0 111.189 -178.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 52.3 ttp180 -61.99 -49.83 74.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.268 0.556 . . . . 0.0 111.374 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -79.62 -27.7 41.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.825 -172.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -74.5 -30.85 61.97 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 175.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.585 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -59.88 -50.64 72.99 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.724 174.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.464 HG13 HG22 ' A' ' 51' ' ' VAL . 54.6 t -61.13 -38.25 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.619 176.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.1 tpp85 -60.4 -42.95 97.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.357 177.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -73.98 -25.0 59.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.41 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 15' ' ' ALA . 79.7 t -60.29 -40.17 83.02 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 171.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.7 mt -68.67 -40.44 80.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.43 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -60.67 -37.1 80.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.928 177.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.9 m -82.39 -17.71 44.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.952 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -66.99 -32.74 74.18 Favored 'General case' 0 CA--C 1.522 -0.118 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 176.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.2 48.96 2.87 Favored Glycine 0 C--N 1.33 0.204 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.361 175.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -165.96 -57.32 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -73.22 149.41 42.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.237 177.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -82.35 -18.02 43.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.429 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.7 p -132.55 127.81 35.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.366 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.472 ' O ' HG12 ' A' ' 33' ' ' ILE . 29.1 tt0 -68.29 -26.78 65.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.608 -178.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 6.9 m-90 -63.28 -35.52 80.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.723 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.11 -39.99 82.64 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.178 0.513 . . . . 0.0 109.967 177.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.6 m -57.91 -46.14 85.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.627 175.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 29' ' ' GLN . 47.6 mm -56.71 -48.21 81.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.663 178.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 59.5 m -71.92 -7.32 47.84 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.947 -176.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.0 m -98.05 -33.24 11.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.014 0.435 . . . . 0.0 110.935 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.534 HD12 HG22 ' A' ' 19' ' ' VAL . 69.1 mt -87.92 -31.68 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.485 -176.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.28 -53.81 59.73 Favored Pre-proline 0 CA--C 1.539 0.552 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -68.39 -18.48 44.03 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.777 1.651 . . . . 0.0 112.324 178.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -71.52 -53.37 14.09 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.3 mt -72.57 -34.82 49.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.27 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.23 50.7 1.69 Allowed Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -178.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.0 p -141.56 172.06 13.2 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.894 0.378 . . . . 0.0 110.594 -178.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.5 m -79.02 128.83 75.04 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.717 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.86 -37.46 95.8 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.131 2.554 . . . . 0.0 112.275 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.596 ' O ' HG23 ' A' ' 49' ' ' VAL . 40.7 mt-10 -57.06 -46.49 82.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.601 177.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.0 m -63.73 -38.1 89.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.962 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.442 ' O ' HG23 ' A' ' 51' ' ' VAL . 44.1 tp -63.76 -40.33 96.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.783 177.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 48' ' ' ARG . 15.5 tpt180 -66.49 -35.49 80.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.342 175.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 45' ' ' GLU . 70.3 t -59.48 -45.35 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.829 177.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 50.0 m0 -61.72 -39.12 90.39 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 120.966 0.412 . . . . 0.0 110.766 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.464 HG22 HG13 ' A' ' 16' ' ' VAL . 57.5 t -67.64 -50.05 64.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.472 177.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.441 ' HA ' ' HB2' ' A' ' 55' ' ' GLU . 40.0 ttm180 -65.4 -32.09 73.54 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.759 0.314 . . . . 0.0 110.95 -178.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -61.1 -41.75 97.24 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -76.94 -26.02 53.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.049 0.452 . . . . 0.0 110.722 176.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.441 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 19.1 tt0 . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.674 176.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.563 ' O ' ' HG3' ' A' ' 14' ' ' ARG . 33.1 mt-10 . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.892 0.377 . . . . 0.0 110.535 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 63.6 t -65.86 -41.13 89.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.003 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.422 ' O ' HG23 ' A' ' 16' ' ' VAL . 44.8 ttp180 -62.61 -40.77 98.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.04 176.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.422 ' HA ' ' OE1' ' A' ' 13' ' ' GLN . 6.0 tp60 -66.17 -41.89 89.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.534 -179.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.563 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 95.3 mtt180 -57.32 -47.24 82.06 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-O 121.1 0.476 . . . . 0.0 109.8 175.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -55.58 -50.46 70.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.657 -177.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.543 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 69.2 t -56.95 -44.27 82.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.712 -179.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.4 ttp85 -65.04 -43.75 91.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.579 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.491 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 66.8 mtt -61.42 -42.24 98.43 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.569 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.8 t -60.07 -46.37 94.4 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.269 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.524 177.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 84.5 mt -62.44 -48.58 79.06 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.754 0.311 . . . . 0.0 111.173 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -62.07 -44.37 96.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.881 -178.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.554 ' HB2' HG23 ' A' ' 32' ' ' THR . 18.2 m -73.62 -25.01 60.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -64.83 -30.17 71.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.108 0.48 . . . . 0.0 109.988 176.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.06 -8.39 86.88 Favored Glycine 0 CA--C 1.522 0.499 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.224 175.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -99.59 -55.07 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.941 0.4 . . . . 0.0 110.546 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -73.68 163.09 28.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.649 -176.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -87.43 -8.08 56.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.857 176.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.4 t -138.52 132.62 31.48 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.0 -176.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.408 ' O ' ' HB ' ' A' ' 32' ' ' THR . 45.3 tt0 -70.58 -27.85 64.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.586 0.708 . . . . 0.0 109.11 174.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.427 ' CD1' ' N ' ' A' ' 30' ' ' TRP . 5.5 m0 -65.0 -51.17 63.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.29 178.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.0 -29.08 70.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.713 177.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.573 ' O ' HG12 ' A' ' 36' ' ' ILE . 92.5 m -62.34 -54.99 32.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.354 176.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.505 HG23 ' HB2' ' A' ' 47' ' ' LEU . 58.6 mt -56.82 -40.73 73.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 120.99 0.424 . . . . 0.0 110.845 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.5 t -61.06 -28.11 68.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.96 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.425 ' O ' ' HD2' ' A' ' 38' ' ' PRO . 21.0 m -95.39 -17.35 21.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.617 -176.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.573 HG12 ' O ' ' A' ' 32' ' ' THR . 49.5 mm -83.5 -24.11 8.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.24 0.543 . . . . 0.0 110.564 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.587 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -54.48 -53.18 62.59 Favored Pre-proline 0 CA--C 1.54 0.588 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.738 177.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.587 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 2.3 Cg_endo -82.22 8.04 4.74 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.374 2.049 . . . . 0.0 112.222 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 36' ' ' ILE . 27.5 tptp -90.23 -29.2 18.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.211 178.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.1 mt -110.79 -41.38 4.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.418 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.16 35.36 1.03 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.741 -0.743 . . . . 0.0 111.447 -175.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 66.0 m -129.56 174.48 9.62 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.3 p -91.84 157.52 41.34 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.477 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 14.5 Cg_endo -58.07 -24.54 66.48 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.614 2.209 . . . . 0.0 111.954 178.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -64.45 -44.68 90.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.275 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.5 m -61.6 -42.95 99.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.229 -176.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.505 ' HB2' HG23 ' A' ' 33' ' ' ILE . 3.7 mm? -61.11 -42.31 98.3 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.193 -179.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 44' ' ' PRO . 54.6 mtt180 -57.42 -46.83 83.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.77 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.629 HG12 HE21 ' A' ' 53' ' ' GLN . 30.9 t -65.55 -42.25 92.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.625 -179.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 35.6 m0 -61.3 -41.93 97.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.694 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 47' ' ' LEU . 94.9 t -62.69 -45.11 99.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.744 0.307 . . . . 0.0 110.542 178.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.406 ' O ' ' HB3' ' A' ' 55' ' ' GLU . 34.9 ttt180 -66.08 -32.09 73.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.809 -179.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.629 HE21 HG12 ' A' ' 49' ' ' VAL . 76.4 mt-30 -66.56 -35.11 79.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.614 176.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -73.06 -26.27 61.22 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.406 ' HB3' ' O ' ' A' ' 52' ' ' ARG . 33.7 tt0 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.811 175.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 . . . . . 0 N--CA 1.456 -0.165 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.7 t -62.59 -40.33 87.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.843 -176.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.6 tpp85 -59.03 -50.96 72.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.58 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -67.75 -42.58 81.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.484 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -58.02 -41.99 84.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.113 -178.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.475 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -63.86 -51.86 62.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.137 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.501 HG21 ' HB2' ' A' ' 54' ' ' HIS . 40.1 t -64.84 -42.64 95.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.747 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -56.51 -45.68 80.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.218 175.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 41.8 tpp -58.63 -42.27 87.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.562 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 15' ' ' ALA . 90.1 t -66.75 -55.09 19.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.74 -40.92 97.92 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -173.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.42 -39.73 74.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.575 -178.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.7 m -72.2 -28.78 63.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.045 0.45 . . . . 0.0 109.902 176.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.401 HE21 ' HB3' ' A' ' 23' ' ' GLN . 0.9 OUTLIER -63.44 -29.83 71.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.609 174.013 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.74 -28.48 70.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.075 175.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -74.17 -35.05 63.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.316 0.579 . . . . 0.0 109.665 176.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -99.16 -157.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.844 175.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -134.34 8.13 3.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.528 0.68 . . . . 0.0 109.421 172.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.402 ' OG ' ' HE3' ' A' ' 30' ' ' TRP . 39.4 t -131.36 121.75 25.19 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.067 -174.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.407 ' O ' HG13 ' A' ' 33' ' ' ILE . 66.0 mt-30 -65.26 -46.7 79.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.957 0.408 . . . . 0.0 110.092 172.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.402 ' HE3' ' OG ' ' A' ' 28' ' ' SER . 9.9 m-90 -55.23 -51.98 64.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.812 -173.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.38 94.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.169 0.509 . . . . 0.0 110.89 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.455 ' O ' HG13 ' A' ' 36' ' ' ILE . 26.9 m -67.43 -47.35 70.45 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.29 -178.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.625 HG23 ' HB2' ' A' ' 47' ' ' LEU . 78.2 mt -55.54 -41.57 64.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.5 -178.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.6 m -62.35 -28.48 69.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.865 0.364 . . . . 0.0 111.618 -178.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 t -89.96 -20.07 23.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.912 0.386 . . . . 0.0 110.945 -176.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 32' ' ' THR . 60.2 mt -86.6 -15.52 9.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.903 0.382 . . . . 0.0 111.247 -176.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.546 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -54.17 -56.91 21.15 Favored Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.54 177.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.546 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 73.1 Cg_endo -76.41 -10.09 18.91 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 121.85 1.7 . . . . 0.0 111.886 177.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.4 tttt -79.93 -42.29 24.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.003 -177.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.1 mm -83.6 -45.45 18.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.145 175.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.75 47.36 0.4 Allowed Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.058 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 19.3 p -153.75 -167.87 2.8 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.6 p -94.84 154.67 39.78 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.765 -0.198 . . . . 0.0 110.66 177.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.416 ' HA ' ' HB2' ' A' ' 37' ' ' ALA . 76.6 Cg_exo -51.94 -49.99 15.47 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.505 2.804 . . . . 0.0 114.343 -172.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -61.78 -21.65 64.76 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -175.654 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.7 m -66.13 -36.96 84.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 110.699 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.625 ' HB2' HG23 ' A' ' 33' ' ' ILE . 3.3 mm? -64.81 -44.31 90.31 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.206 178.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 57.7 ttp85 -63.09 -35.94 81.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.379 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 45' ' ' GLU . 92.7 t -63.31 -50.28 79.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.262 175.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 43.3 m0 -61.66 -39.73 92.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.378 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 47' ' ' LEU . 77.7 t -60.13 -44.1 94.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 120.64 0.257 . . . . 0.0 110.484 176.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -64.54 -42.74 95.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.108 177.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 49' ' ' VAL . 94.1 mt-30 -58.73 -46.41 87.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.547 178.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.501 ' HB2' HG21 ' A' ' 16' ' ' VAL . 68.7 t60 -72.25 -20.84 61.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.163 -178.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 . . . . . 0 C--N 1.326 -0.418 0 CA-C-O 121.18 0.514 . . . . 0.0 109.683 178.447 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.129 0.49 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.9 t -65.61 -37.34 79.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.228 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -58.24 -51.86 68.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.567 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -60.59 -42.06 95.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.526 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.486 ' O ' ' HG2' ' A' ' 18' ' ' MET . 99.3 mtt180 -60.62 -42.13 96.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.216 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.438 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -61.95 -49.86 74.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.305 -179.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -64.66 -36.61 77.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.212 0.529 . . . . 0.0 110.344 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -62.44 -38.73 90.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.026 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.486 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 92.4 mmm -63.13 -42.61 99.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.229 175.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 15' ' ' ALA . 93.3 t -58.84 -48.22 86.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.604 177.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.58 -45.59 89.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.034 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -57.74 -47.67 81.8 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.28 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.4 t -65.56 -41.13 93.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.271 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -65.9 -13.22 59.27 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.818 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.91 -28.35 71.77 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.883 173.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -111.76 -38.43 4.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.013 0.435 . . . . 0.0 109.962 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -80.66 107.79 13.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.554 177.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -76.33 -24.67 54.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.494 -172.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.5 m -97.21 108.38 21.09 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.36 -178.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.411 ' O ' HG13 ' A' ' 33' ' ' ILE . 6.7 tt0 -56.19 -38.08 70.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.454 -177.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -61.19 -37.78 84.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.783 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.2 -39.27 82.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.108 177.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.4 m -63.1 -49.75 73.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.877 177.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.568 HG23 HD23 ' A' ' 47' ' ' LEU . 82.6 mt -56.69 -48.41 80.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.311 -179.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.0 m -65.53 -14.44 61.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.817 -178.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.2 m -97.92 -41.6 7.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.873 0.368 . . . . 0.0 110.912 178.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.8 mm -79.56 -40.54 21.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.988 -174.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.568 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -53.65 -52.23 69.06 Favored Pre-proline 0 CA--C 1.536 0.431 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -176.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.568 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 9.9 Cg_exo -71.86 -24.44 21.14 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 121.991 1.794 . . . . 0.0 112.049 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -72.5 -43.42 63.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.155 -179.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 47.8 mm -74.7 -44.72 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.398 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.34 51.83 0.38 Allowed Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.758 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.7 p -152.67 171.3 18.4 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -178.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.3 p -91.44 151.06 42.31 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.764 -0.198 . . . . 0.0 110.96 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.07 -37.69 86.86 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.026 2.484 . . . . 0.0 112.144 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.542 ' O ' HG23 ' A' ' 49' ' ' VAL . 11.0 tp10 -52.84 -59.32 4.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.488 175.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.3 m -61.64 -42.3 98.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.495 -175.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.568 HD23 HG23 ' A' ' 33' ' ' ILE . 49.3 tp -63.7 -43.86 95.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.801 -179.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.9 ttt85 -66.82 -31.78 72.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.086 -178.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 45' ' ' GLU . 88.1 t -61.66 -44.36 98.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 174.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 38.1 m0 -64.79 -34.68 78.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.052 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.493 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 85.1 t -60.15 -54.78 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 176.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.5 HH21 ' CD ' ' A' ' 55' ' ' GLU . 1.7 mmp_? -58.58 -38.89 78.87 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.603 178.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -62.84 -46.03 89.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.903 178.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -62.79 -37.29 86.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.942 0.401 . . . . 0.0 110.27 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.5 ' CD ' HH21 ' A' ' 52' ' ' ARG . 47.6 mt-10 . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.538 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 . . . . . 0 C--O 1.233 0.213 0 CA-C-O 120.924 0.392 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.3 t -69.95 -40.1 78.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -61.19 -40.53 94.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.12 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -63.71 -49.67 72.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.768 178.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -59.17 -40.27 85.1 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.566 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.468 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -55.61 -51.59 66.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.074 178.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 51.8 t -65.81 -42.66 92.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.948 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -59.74 -45.62 91.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.977 -178.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 71.8 mtm -59.51 -44.68 93.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.665 0.269 . . . . 0.0 110.93 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 15' ' ' ALA . 98.7 t -59.88 -44.97 95.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.771 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.9 mt -67.84 -41.82 82.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.287 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -61.59 -51.52 68.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.322 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.4 m -67.29 -27.39 67.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.631 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.761 HE21 ' HB3' ' A' ' 29' ' ' GLN . 34.9 tt0 -60.52 -34.78 74.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.038 0.447 . . . . 0.0 110.141 176.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.04 -22.72 76.19 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.568 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -94.18 -18.8 21.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.945 0.402 . . . . 0.0 110.83 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -109.63 -163.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.668 175.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -111.29 -36.22 5.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.988 0.423 . . . . 0.0 110.644 177.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 t -117.64 140.45 49.63 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.078 -175.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.761 ' HB3' HE21 ' A' ' 23' ' ' GLN . 9.4 pt20 -73.2 -27.77 61.81 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-O 121.076 0.465 . . . . 0.0 109.747 175.003 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 9.4 m-90 -70.92 -23.16 62.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.209 0.528 . . . . 0.0 110.163 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.26 -26.24 52.27 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.797 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.6 p -91.97 -40.53 11.07 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.992 179.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.804 HG23 HD23 ' A' ' 47' ' ' LEU . 70.2 mt -51.81 -47.01 40.48 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.576 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.2 p -67.76 -14.77 63.23 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 -177.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.0 t -98.83 -19.14 17.56 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.154 0.502 . . . . 0.0 110.704 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.7 mt -102.67 -43.63 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.73 -175.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.553 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -54.37 -50.77 83.11 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -176.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.553 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 24.6 Cg_exo -64.32 -25.45 64.23 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 122.042 1.828 . . . . 0.0 112.296 179.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -76.61 -29.57 56.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.195 0.521 . . . . 0.0 110.272 -179.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.6 mt -83.7 -42.67 17.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.348 0.594 . . . . 0.0 109.718 175.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.87 16.59 9.09 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.717 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.5 p -109.4 168.75 9.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.816 0.341 . . . . 0.0 110.571 -178.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.401 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 13.3 p -83.32 143.16 44.47 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.769 178.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 43' ' ' THR . 48.8 Cg_exo -56.44 -37.52 97.03 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.764 2.31 . . . . 0.0 112.367 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.486 ' O ' HG23 ' A' ' 49' ' ' VAL . 48.7 mt-10 -63.16 -53.91 45.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.088 -178.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.2 m -65.25 -33.31 75.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.466 -178.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.804 HD23 HG23 ' A' ' 33' ' ' ILE . 55.1 tp -61.54 -42.52 98.95 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.845 0.355 . . . . 0.0 110.164 176.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -65.16 -37.08 86.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.506 177.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 45' ' ' GLU . 91.8 t -59.3 -41.03 82.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.756 178.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 32.1 m0 -60.7 -44.15 96.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.794 177.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.47 -46.39 96.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.135 176.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -60.64 -42.57 97.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.845 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 14.5 mm100 -66.73 -25.68 66.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.772 179.4 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -78.9 -30.88 45.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.71 174.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 . . . . . 0 C--N 1.331 -0.235 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 175.143 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 CA--C 1.531 0.225 0 CA-C-O 120.913 0.387 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 72.0 t -67.25 -48.98 76.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.348 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 49.6 mtm180 -64.19 -40.13 95.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.1 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -53.95 -57.97 9.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.463 176.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -63.38 -33.55 75.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.18 -177.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.583 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -59.5 -60.85 3.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.818 177.183 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.508 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 61.8 t -63.87 -39.98 87.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.639 -178.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.517 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 40.6 ttt-85 -55.45 -52.01 65.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.377 177.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 34.2 ttp -60.72 -36.93 80.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 15' ' ' ALA . 98.8 t -60.76 -49.81 83.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.641 0.258 . . . . 0.0 110.383 176.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 78.3 mt -61.75 -48.12 82.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.292 -177.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 17' ' ' ARG . 39.5 mt-10 -73.82 -14.34 61.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.711 -174.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.2 m -92.69 -27.69 17.11 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 172.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -67.17 -26.96 66.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.513 178.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.42 -13.09 59.98 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.478 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -111.69 -48.89 3.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.851 0.358 . . . . 0.0 110.643 178.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -65.34 155.19 36.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.568 0.699 . . . . 0.0 112.667 -174.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -76.5 -35.14 58.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.332 -177.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.6 t -125.11 143.11 51.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.191 -175.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -74.13 -23.56 59.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.49 176.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 64.4 t90 -72.35 -36.76 68.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.545 174.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.95 -38.44 91.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.01 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.8 p -69.3 -50.02 50.61 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.786 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.5 mt -56.85 -46.11 83.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.8 0.333 . . . . 0.0 110.929 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.9 t -65.17 -23.77 67.2 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.428 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.0 m -92.68 -22.26 19.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.807 0.337 . . . . 0.0 111.24 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.2 mt -93.35 -27.03 4.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.011 0.434 . . . . 0.0 111.027 -177.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.42 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -50.4 -53.71 42.28 Favored Pre-proline 0 CA--C 1.541 0.602 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.343 177.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.42 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 74.4 Cg_endo -73.57 -0.74 9.72 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.139 1.893 . . . . 0.0 113.229 -179.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -86.9 -28.44 22.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.176 0.513 . . . . 0.0 109.98 177.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.9 mt -106.21 -41.37 6.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.477 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.25 19.85 8.21 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 -176.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.3 p -105.64 147.8 28.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.684 0.278 . . . . 0.0 110.987 -177.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.513 ' HB ' ' OG1' ' A' ' 46' ' ' THR . 36.8 m -69.96 138.67 87.67 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.059 177.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -49.09 -40.42 41.57 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.991 2.46 . . . . 0.0 113.19 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.502 ' O ' HG23 ' A' ' 49' ' ' VAL . 6.6 mm-40 -68.27 -32.55 72.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.923 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.513 ' OG1' ' HB ' ' A' ' 43' ' ' THR . 2.1 m -69.79 -41.99 74.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.216 0.531 . . . . 0.0 109.785 177.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.583 HD11 HG21 ' A' ' 19' ' ' VAL . 1.1 tm? -59.08 -43.15 91.79 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.509 -0.769 . . . . 0.0 108.931 175.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -55.74 -38.13 69.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.067 178.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 45' ' ' GLU . 84.3 t -64.52 -45.89 94.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.978 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.467 ' HE3' HD22 ' A' ' 47' ' ' LEU . 17.0 m0 -63.77 -33.36 75.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.943 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.556 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 84.8 t -62.49 -45.93 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.117 175.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -60.94 -42.99 99.28 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.84 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -60.74 -37.7 82.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.785 0.326 . . . . 0.0 110.145 179.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -67.22 -48.21 68.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.006 179.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 51' ' ' VAL . 5.5 mm-40 . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.6 -177.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 . . . . . 0 CA--C 1.527 0.087 0 CA-C-O 120.964 0.411 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.2 t -67.08 -43.26 88.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.562 -179.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -65.2 -36.05 82.97 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.876 HE21 ' HA ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -66.3 -46.71 76.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.32 176.791 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -57.97 -53.52 57.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.395 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.483 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -58.93 -59.67 5.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.564 -0.743 . . . . 0.0 112.163 -174.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.4 t -58.46 -41.14 80.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.448 -175.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.4 ttp85 -62.34 -45.08 94.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.697 -178.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.549 ' HG2' HD12 ' A' ' 36' ' ' ILE . 50.5 ttm -68.89 -31.7 70.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.877 -178.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 15' ' ' ALA . 77.7 t -65.22 -52.71 49.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.415 175.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.1 mt -58.28 -41.92 85.41 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.943 0.401 . . . . 0.0 110.675 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -56.24 -48.24 76.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.832 178.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.464 ' HB2' HG23 ' A' ' 32' ' ' THR . 16.1 m -77.23 -24.8 51.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -178.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -68.1 -19.72 64.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.308 0.575 . . . . 0.0 109.975 175.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.98 -1.77 69.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.789 173.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -117.92 -53.96 2.35 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 178.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -77.25 144.17 38.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.557 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -89.8 -14.63 34.07 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.426 0.631 . . . . 0.0 109.625 176.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.0 t -103.64 129.02 50.87 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.643 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.448 ' NE2' HG11 ' A' ' 51' ' ' VAL . 59.8 tp60 -67.22 -39.86 86.31 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.62 176.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 18.9 m-90 -68.81 -40.9 79.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.963 -176.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.56 -30.62 68.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.94 0.4 . . . . 0.0 110.669 176.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.464 HG23 ' HB2' ' A' ' 22' ' ' SER . 27.4 m -76.75 -44.17 34.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.616 178.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.462 HG23 HD23 ' A' ' 47' ' ' LEU . 83.9 mt -61.42 -48.18 90.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.003 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 80.5 m -69.43 -13.44 62.36 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -175.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.9 p -98.73 -38.82 8.93 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.438 179.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.549 HD12 ' HG2' ' A' ' 18' ' ' MET . 50.0 mm -79.64 -38.2 19.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.881 -175.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.51 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -54.63 -54.78 45.11 Favored Pre-proline 0 CA--C 1.539 0.541 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -176.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.51 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 71.8 Cg_endo -75.71 -9.9 19.92 Favored 'Trans proline' 0 C--N 1.357 0.974 0 C-N-CA 122.103 1.869 . . . . 0.0 112.261 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -81.22 -40.71 23.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.429 0.633 . . . . 0.0 109.938 177.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.424 ' CD1' ' HA ' ' A' ' 15' ' ' ALA . 66.0 mt -83.01 -42.85 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.444 177.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.6 47.27 0.58 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.081 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 62.2 m -139.08 160.9 38.69 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.6 p -78.24 141.35 61.98 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-O 120.64 0.257 . . . . 0.0 110.963 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.53 -37.12 90.28 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 123.262 2.642 . . . . 0.0 112.928 -177.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.527 ' O ' HG23 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -71.55 -32.61 68.32 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.396 -178.15 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 97.1 m -71.41 -40.0 70.76 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.462 HD23 HG23 ' A' ' 33' ' ' ILE . 41.4 tp -62.86 -40.19 96.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.192 177.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -56.28 -44.44 79.79 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.733 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 45' ' ' GLU . 81.2 t -59.3 -45.48 93.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 37.3 m0 -62.59 -39.09 92.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.262 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.448 HG11 ' NE2' ' A' ' 29' ' ' GLN . 94.2 t -64.73 -47.93 86.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.765 178.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -61.13 -39.71 91.08 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.018 177.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -63.33 -51.42 66.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.062 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -61.41 -35.8 78.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.766 0.317 . . . . 0.0 111.041 -178.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.147 178.647 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.689 0.281 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.1 t -63.19 -43.26 98.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.15 -177.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.484 ' O ' HG23 ' A' ' 16' ' ' VAL . 54.7 mtm180 -58.1 -56.01 27.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.739 -178.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -65.72 -36.74 84.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.042 -176.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -59.83 -47.72 84.57 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.358 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.528 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -66.79 -49.58 65.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.261 -179.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 12' ' ' ARG . 97.5 t -58.05 -47.61 86.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.253 -178.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -64.09 -35.32 80.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.896 0.379 . . . . 0.0 110.608 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 46.4 ttm -66.33 -39.87 89.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.911 177.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 15' ' ' ALA . 84.3 t -62.28 -47.09 94.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.367 175.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 92.4 mt -59.53 -49.29 78.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.333 -178.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -58.66 -39.41 80.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.892 0.377 . . . . 0.0 111.025 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.488 ' HB2' HG23 ' A' ' 32' ' ' THR . 16.7 m -80.26 -21.58 42.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.179 -178.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -74.39 -20.86 59.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.297 0.57 . . . . 0.0 109.584 175.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.68 -13.55 75.29 Favored Glycine 0 N--CA 1.449 -0.459 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 172.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -89.31 -58.0 2.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.282 0.563 . . . . 0.0 110.353 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -100.01 -175.45 2.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.929 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -118.89 0.91 11.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.453 0.644 . . . . 0.0 109.434 173.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.7 t -112.69 115.4 28.5 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.951 -176.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -67.65 -28.31 67.6 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 173.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -61.0 -51.3 69.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.461 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.44 -37.68 88.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.717 178.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.488 HG23 ' HB2' ' A' ' 22' ' ' SER . 90.7 m -61.43 -57.38 12.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.95 178.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 98.2 mt -62.41 -37.65 79.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.228 -177.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.0 t -63.11 -22.48 66.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.228 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.9 m -90.84 -23.94 20.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.931 0.396 . . . . 0.0 110.939 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.1 mt -89.68 -34.14 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.21 -176.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.572 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -53.38 -51.86 71.79 Favored Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -178.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.572 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 6.4 Cg_exo -75.82 -10.42 19.9 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.339 2.026 . . . . 0.0 112.462 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -80.7 -39.46 27.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.103 0.478 . . . . 0.0 110.152 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.6 mt -89.0 -46.31 15.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.059 177.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.42 48.87 0.95 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.549 -177.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.7 p -144.12 167.02 23.38 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 -178.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.43 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 1.3 p -70.0 138.5 87.53 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.363 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 43' ' ' THR . 68.2 Cg_exo -51.85 -43.21 53.26 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.509 2.806 . . . . 0.0 113.954 -176.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.431 ' O ' HG23 ' A' ' 49' ' ' VAL . 42.8 mt-10 -62.18 -27.13 68.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.631 0.253 . . . . 0.0 111.259 -176.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.4 m -64.1 -36.0 82.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.299 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.488 ' O ' HG23 ' A' ' 51' ' ' VAL . 3.4 mm? -61.25 -46.67 89.43 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.431 178.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -61.08 -33.9 74.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.679 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.453 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 86.7 t -60.4 -51.97 66.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.958 178.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 29.3 m0 -62.93 -39.8 95.67 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.783 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 47' ' ' LEU . 89.9 t -65.04 -42.19 93.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.359 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -62.92 -34.08 76.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.327 -179.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 49' ' ' VAL . 97.7 mt-30 -60.38 -46.34 90.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.128 174.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -66.0 -45.16 82.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.159 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.728 -176.289 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.274 0 CA-C-O 120.788 0.328 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.46 HG22 HH22 ' A' ' 14' ' ' ARG . 79.7 t -64.56 -42.79 96.16 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.22 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.738 177.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.417 ' O ' HG23 ' A' ' 16' ' ' VAL . 61.4 ttp180 -56.63 -49.06 76.09 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.131 -178.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -62.04 -43.41 98.9 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.158 0.504 . . . . 0.0 110.761 -178.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.46 HH22 HG22 ' A' ' 11' ' ' VAL . 35.4 ttp-105 -68.89 -42.46 76.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.99 -178.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.501 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -59.75 -45.53 91.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.554 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 12' ' ' ARG . 90.1 t -61.77 -39.83 84.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.876 0.369 . . . . 0.0 110.419 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -66.64 -37.28 84.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.177 177.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.8 mmt -59.57 -43.28 93.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.696 175.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.514 ' O ' ' HB2' ' A' ' 23' ' ' GLN . 85.9 t -56.9 -45.77 83.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.46 178.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.1 mt -69.72 -41.44 75.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.035 0.445 . . . . 0.0 110.816 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -57.8 -49.87 75.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.497 -178.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.542 ' HB3' HG23 ' A' ' 32' ' ' THR . 8.1 t -81.88 -13.85 57.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.344 -178.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.514 ' HB2' ' O ' ' A' ' 19' ' ' VAL . 34.6 tt0 -67.17 -25.34 66.11 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.616 0.722 . . . . 0.0 109.392 173.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.66 -6.17 76.3 Favored Glycine 0 CA--C 1.523 0.582 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.679 173.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -113.24 -57.41 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.671 -0.311 . . . . 0.0 110.937 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.401 ' CD2' ' HA ' ' A' ' 32' ' ' THR . 46.5 m-85 -69.94 137.94 51.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.629 0.252 . . . . 0.0 110.518 177.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -75.75 -38.58 58.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.109 0.481 . . . . 0.0 109.909 178.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 p -104.59 126.96 52.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.562 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -65.54 -19.86 66.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.375 -175.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -61.28 -47.13 87.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.985 0.422 . . . . 0.0 110.23 177.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.96 -34.8 78.93 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.35 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.542 HG23 ' HB3' ' A' ' 22' ' ' SER . 13.3 m -55.62 -58.37 8.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.67 176.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.661 HG23 HD23 ' A' ' 47' ' ' LEU . 71.7 mt -62.06 -36.46 74.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.824 -178.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.2 t -61.37 -40.79 95.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.665 -177.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.409 ' O ' ' HD2' ' A' ' 38' ' ' PRO . 43.5 m -80.36 -28.49 38.02 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -176.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 32' ' ' THR . 74.3 mt -79.17 -27.14 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.809 0.338 . . . . 0.0 111.515 -176.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.581 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -54.79 -53.71 57.66 Favored Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -177.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.581 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 5.6 Cg_exo -77.65 -7.83 16.81 Favored 'Trans proline' 0 C--N 1.356 0.974 0 C-N-CA 122.334 2.022 . . . . 0.0 112.163 -179.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -74.22 -39.56 63.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.169 0.509 . . . . 0.0 110.098 178.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.9 mt -96.53 -41.46 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.414 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.61 48.88 0.57 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.066 -178.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.41 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 83.5 m -141.95 174.09 10.91 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.0 p -93.25 148.37 35.5 Favored Pre-proline 0 C--N 1.318 -0.781 0 C-N-CA 121.182 -0.207 . . . . 0.0 110.732 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.94 -35.75 90.35 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.88 2.387 . . . . 0.0 112.443 -178.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.527 ' O ' HG23 ' A' ' 49' ' ' VAL . 11.5 mm-40 -61.37 -43.59 98.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.293 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.4 m -65.16 -43.23 92.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.894 0.378 . . . . 0.0 110.713 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.661 HD23 HG23 ' A' ' 33' ' ' ILE . 53.0 tp -65.75 -38.43 89.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.425 178.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -58.28 -42.73 87.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.497 177.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 45' ' ' GLU . 91.2 t -64.13 -42.83 96.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.009 178.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 48.5 m0 -59.43 -41.33 89.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.813 0.339 . . . . 0.0 111.089 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 47' ' ' LEU . 57.9 t -62.3 -48.92 86.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.557 178.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 36.6 ttm-85 -63.21 -38.28 90.56 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.151 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -66.78 -30.16 70.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.697 0.284 . . . . 0.0 110.93 177.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -71.15 -32.1 68.53 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 175.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 . . . . . 0 C--N 1.33 -0.24 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 174.412 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 N--CA 1.464 0.261 0 CA-C-O 120.733 0.301 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.452 HG13 HG21 ' A' ' 40' ' ' ILE . 88.2 t -63.41 -43.8 98.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.519 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -64.51 -46.84 81.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.184 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -62.46 -41.67 98.92 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.496 178.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.419 ' O ' ' HG3' ' A' ' 18' ' ' MET . 5.7 tpp180 -56.75 -51.54 68.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.33 178.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.509 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -56.26 -54.3 47.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.372 -177.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 72.5 t -57.31 -44.67 84.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.499 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 47.7 ttt85 -63.98 -46.21 85.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.947 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.419 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 87.8 mtp -61.11 -35.78 77.94 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.907 0.384 . . . . 0.0 110.92 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 15' ' ' ALA . 69.7 t -63.76 -42.3 95.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.422 176.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.8 mt -67.35 -42.51 83.39 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.844 0.354 . . . . 0.0 110.776 179.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 17' ' ' ARG . 44.7 mt-10 -57.76 -44.83 86.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.038 177.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.499 ' HB2' HG23 ' A' ' 32' ' ' THR . 16.4 m -78.77 -16.73 56.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.99 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.662 HE22 ' HB2' ' A' ' 29' ' ' GLN . 5.1 tp-100 -67.84 -28.93 67.98 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 175.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.59 3.52 59.44 Favored Glycine 0 CA--C 1.523 0.543 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.484 174.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -121.71 -45.57 2.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.982 0.42 . . . . 0.0 110.475 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -85.86 154.57 21.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.46 177.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -91.19 -21.81 20.95 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.37 0.605 . . . . 0.0 109.497 175.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.3 m -127.12 117.33 22.19 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.001 -178.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.662 ' HB2' HE22 ' A' ' 23' ' ' GLN . 10.2 tt0 -59.97 -19.03 50.03 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.108 178.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.9 t-105 -52.58 -45.57 66.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.531 177.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.59 -30.25 59.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.822 -178.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.499 HG23 ' HB2' ' A' ' 22' ' ' SER . 7.2 m -62.2 -49.23 76.61 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.972 -179.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.837 HG23 HD23 ' A' ' 47' ' ' LEU . 98.8 mt -55.68 -47.83 78.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.077 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 54.3 m -69.72 -15.04 63.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.646 -0.707 . . . . 0.0 112.117 -174.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.2 m -98.13 -36.19 10.15 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.715 -177.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.3 mt -85.66 -28.64 6.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.637 0.256 . . . . 0.0 111.512 -175.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.414 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -53.03 -52.81 61.96 Favored Pre-proline 0 CA--C 1.539 0.556 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 55.6 Cg_endo -69.64 -14.05 35.89 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.019 1.813 . . . . 0.0 113.209 -178.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -72.92 -49.64 28.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.995 0.426 . . . . 0.0 110.581 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.452 HG21 HG13 ' A' ' 11' ' ' VAL . 37.4 mt -86.74 -24.52 6.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.129 0.49 . . . . 0.0 110.361 -178.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.09 43.09 6.43 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.562 -179.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 86.4 m -122.54 152.22 40.59 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.908 0.385 . . . . 0.0 110.487 -178.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.438 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -66.72 125.56 90.86 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.322 179.333 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 43' ' ' THR . 32.7 Cg_exo -59.23 -30.24 92.45 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.91 2.407 . . . . 0.0 112.109 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -64.56 -40.94 96.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.565 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.4 m -67.48 -32.9 74.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.324 178.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.837 HD23 HG23 ' A' ' 33' ' ' ILE . 49.6 tp -63.76 -37.64 88.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.054 178.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 36.3 mtt180 -58.76 -38.97 79.65 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.229 0.538 . . . . 0.0 110.139 175.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.6 t -66.12 -42.89 92.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.583 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 30.9 m0 -61.13 -36.15 78.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.836 178.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 47' ' ' LEU . 87.9 t -59.42 -49.65 82.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.138 175.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -60.95 -53.12 61.13 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.473 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -61.15 -45.52 94.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.621 -173.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -66.9 -48.55 68.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.532 0.206 . . . . 0.0 111.349 -175.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 . . . . . 0 C--N 1.324 -0.533 0 CA-C-O 120.841 0.353 . . . . 0.0 111.199 -174.544 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 . . . . . 0 N--CA 1.455 -0.213 0 CA-C-O 120.755 0.312 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.4 t -69.22 -44.3 80.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.311 -178.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -62.23 -41.8 98.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.511 178.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -66.38 -47.83 72.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.554 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -60.89 -37.41 82.11 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.51 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -56.8 -60.61 3.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 178.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.6 t -58.95 -40.19 79.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.548 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -55.78 -54.21 47.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.41 178.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 70.7 mtm -66.49 -31.29 71.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.566 -175.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 15' ' ' ALA . 96.8 t -66.31 -40.57 87.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.874 0.369 . . . . 0.0 110.865 177.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.6 mt -68.14 -47.57 67.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.343 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -66.47 -28.83 68.89 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -176.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.2 p -80.89 -32.14 34.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.123 0.487 . . . . 0.0 110.194 176.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.465 HE21 ' HB3' ' A' ' 23' ' ' GLN . 0.9 OUTLIER -64.4 -19.93 65.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.541 175.409 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.4 -13.94 61.28 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.77 175.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -119.47 -45.55 2.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.91 0.355 . . . . 0.0 110.933 178.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -78.82 136.1 37.25 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.111 178.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -70.66 -44.09 67.78 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.208 0.527 . . . . 0.0 110.669 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.6 t -89.58 122.18 32.48 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.349 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.563 ' O ' HG13 ' A' ' 33' ' ' ILE . 52.6 tt0 -74.48 -22.21 59.2 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -66.41 -29.39 69.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.65 175.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.6 -32.15 63.94 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.091 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.0 p -77.96 -31.06 50.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.809 0.338 . . . . 0.0 110.353 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 29' ' ' GLN . 75.8 mt -56.73 -49.37 78.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 177.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.7 p -80.07 -7.63 58.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.79 0.328 . . . . 0.0 111.215 -179.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.414 ' O ' ' HD2' ' A' ' 38' ' ' PRO . 22.3 t -92.36 -37.56 12.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.991 0.425 . . . . 0.0 110.534 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.8 mp -87.45 -22.44 6.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.987 -178.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.513 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -49.19 -48.81 72.87 Favored Pre-proline 0 CA--C 1.542 0.667 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 178.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.513 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 20.2 Cg_exo -66.22 -21.82 54.54 Favored 'Trans proline' 0 C--N 1.358 1.051 0 C-N-CA 122.068 1.845 . . . . 0.0 112.643 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -75.95 -32.27 59.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.041 0.448 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.6 mt -89.3 -36.53 8.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.932 176.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.52 36.87 4.7 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -176.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.0 p -129.27 173.59 10.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.076 0.465 . . . . 0.0 111.069 -176.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.4 m -87.34 144.44 35.89 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.253 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -43.37 -44.3 10.45 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.116 2.544 . . . . 0.0 112.93 175.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.521 ' O ' HG23 ' A' ' 49' ' ' VAL . 8.9 tp10 -58.47 -46.93 85.64 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.886 0.374 . . . . 0.0 110.864 176.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.6 m -58.04 -39.4 78.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.859 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 33' ' ' ILE . 41.8 tp -68.01 -38.09 82.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.207 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.407 HH21 ' CD ' ' A' ' 45' ' ' GLU . 28.5 ttp180 -66.48 -32.89 74.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.262 177.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.595 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 90.5 t -59.58 -46.55 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.597 176.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -62.71 -39.37 93.81 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.894 0.378 . . . . 0.0 110.843 178.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 47' ' ' LEU . 89.8 t -64.3 -40.36 88.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.22 176.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -64.49 -36.35 83.9 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.655 178.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.595 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 84.0 mm-40 -62.01 -44.48 96.64 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 176.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -70.81 -29.39 65.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.51 178.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.149 176.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 . . . . . 0 N--CA 1.455 -0.199 0 CA-C-O 120.534 0.206 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 87.9 t -61.34 -51.6 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.185 -176.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.0 mtm-85 -66.86 -33.54 75.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.952 0.406 . . . . 0.0 110.702 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.6 tm0? -66.13 -52.9 44.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.803 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -69.08 -28.27 66.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.777 -178.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.522 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -61.31 -55.13 35.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.861 178.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.411 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 61.4 t -62.77 -36.19 74.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.374 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.5 mmm-85 -56.31 -52.62 63.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.792 174.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 40.8 ttm -61.71 -36.55 81.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.364 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 15' ' ' ALA . 70.1 t -61.2 -47.78 91.97 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.295 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.839 176.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 95.4 mt -62.14 -43.8 98.03 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.727 0.299 . . . . 0.0 111.238 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.47 -42.87 97.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.04 0.448 . . . . 0.0 110.854 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.559 ' HB2' HG23 ' A' ' 32' ' ' THR . 48.2 m -78.87 -21.19 47.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -68.65 -31.61 70.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.054 0.454 . . . . 0.0 110.314 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.41 -16.15 73.37 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.254 175.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -100.95 -47.35 4.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.939 0.399 . . . . 0.0 110.422 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -85.9 119.62 26.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.477 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.46 -54.29 42.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.244 178.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.435 ' HB3' ' HE3' ' A' ' 30' ' ' TRP . 19.5 m -88.86 127.44 35.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.46 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.42 ' O ' HG13 ' A' ' 33' ' ' ILE . 32.2 tt0 -58.76 -31.26 68.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.221 -178.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.435 ' HE3' ' HB3' ' A' ' 28' ' ' SER . 25.3 m-90 -62.45 -38.56 90.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.14 -34.98 79.29 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.084 0.469 . . . . 0.0 109.94 177.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.559 HG23 ' HB2' ' A' ' 22' ' ' SER . 22.5 m -62.84 -47.61 82.63 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.211 174.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.567 HG23 HD23 ' A' ' 47' ' ' LEU . 70.1 mt -60.82 -49.69 83.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.146 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 86.3 m -65.27 -16.89 64.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.796 -178.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.5 t -87.51 -43.62 11.89 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.894 0.378 . . . . 0.0 110.57 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.419 ' CD1' ' HA ' ' A' ' 19' ' ' VAL . 67.6 mt -88.92 -26.75 5.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -171.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.5 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -55.25 -56.2 31.22 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -178.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.5 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 69.2 Cg_endo -74.87 -14.18 21.54 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 121.593 1.529 . . . . 0.0 111.844 178.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -72.48 -49.41 33.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.689 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.4 mt -83.1 -38.34 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.491 177.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.61 39.84 1.84 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.386 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.1 p -127.31 158.36 37.42 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 33.3 p -75.09 132.72 76.36 Favored Pre-proline 0 C--N 1.32 -0.692 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.372 177.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -51.94 -34.48 56.51 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.495 2.797 . . . . 0.0 112.645 -178.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.453 ' O ' HG23 ' A' ' 49' ' ' VAL . 4.6 mp0 -64.92 -39.35 93.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.96 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.0 m -76.31 -35.21 58.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.015 0.436 . . . . 0.0 110.216 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.567 HD23 HG23 ' A' ' 33' ' ' ILE . 48.9 tp -62.98 -39.85 95.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.075 177.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -56.68 -40.39 75.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.299 175.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.542 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 97.5 t -62.59 -51.0 77.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.257 -178.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 30.5 m0 -59.05 -37.33 76.76 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 120.688 0.28 . . . . 0.0 111.197 -177.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.5 t -64.95 -50.0 77.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.107 176.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -62.23 -30.62 71.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.476 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.542 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 17.5 mm100 -68.49 -36.48 78.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.69 0.281 . . . . 0.0 110.83 177.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -83.01 -9.91 59.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.124 0.488 . . . . 0.0 110.806 178.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.719 178.79 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 120.387 0.137 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.561 ' HB ' ' OG1' ' A' ' 5' ' ' THR . 14.9 p -65.12 127.11 30.3 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.993 0.425 . . . . 0.0 110.866 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -96.79 109.28 21.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.074 -175.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 64.7 t30 61.76 23.14 13.53 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.067 176.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.561 ' OG1' ' HB ' ' A' ' 2' ' ' THR . 14.0 m -76.14 99.01 4.53 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.126 0.489 . . . . 0.0 110.394 177.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' A' ' 6' ' ' ARG . 16.8 ptt180 -149.91 -174.82 4.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.249 -177.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -76.73 163.31 26.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.738 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.5 p -81.05 140.57 49.81 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.018 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.561 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 18.2 Cg_endo -60.35 -48.65 11.07 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.635 2.223 . . . . 0.0 112.573 -178.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -55.21 -51.67 65.81 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.646 -177.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 88.0 t -63.25 -39.77 86.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.983 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -63.15 -49.74 73.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.69 0.281 . . . . 0.0 110.734 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 9' ' ' PRO . 10.5 mm100 -63.52 -42.17 98.47 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.837 0.351 . . . . 0.0 110.634 -178.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.411 ' HD2' HH11 ' A' ' 14' ' ' ARG . 1.1 tmt_? -65.33 -37.07 85.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.108 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -60.92 -54.24 47.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.698 177.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.89 -35.45 60.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.586 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.7 ttt-85 -63.15 -49.19 75.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.246 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 51.3 ttm -61.39 -32.36 72.28 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.911 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 15' ' ' ALA . 84.1 t -61.29 -47.67 92.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.101 175.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.73 -43.11 94.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.388 178.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -53.32 -42.02 66.27 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.387 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.534 ' HB2' HG23 ' A' ' 32' ' ' THR . 15.9 m -85.04 -14.88 45.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.708 -177.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 19' ' ' VAL . 56.3 mt-30 -72.82 -25.74 61.24 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.995 0.426 . . . . 0.0 110.391 174.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.89 -37.17 94.46 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.365 171.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -82.4 -52.97 6.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.959 0.409 . . . . 0.0 110.737 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -106.67 123.73 48.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.337 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -86.77 -12.08 49.14 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.175 0.512 . . . . 0.0 110.257 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.9 m -85.94 106.97 17.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.887 175.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -56.27 -41.84 76.48 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.83 -171.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 6.6 m0 -63.01 -42.48 99.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.995 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.53 -40.56 87.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.175 0.512 . . . . 0.0 110.454 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.534 HG23 ' HB2' ' A' ' 22' ' ' SER . 19.8 m -63.92 -57.87 8.46 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.981 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.44 HG23 HD23 ' A' ' 47' ' ' LEU . 74.7 mt -63.28 -45.0 99.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.034 -173.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.1 t -64.85 -23.95 67.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.903 -174.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.0 m -89.86 -27.34 19.98 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.698 0.258 . . . . 0.0 111.698 -176.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.8 mt -85.4 -35.34 9.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.645 0.259 . . . . 0.0 111.601 -175.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.532 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -49.91 -52.35 52.95 Favored Pre-proline 0 CA--C 1.543 0.699 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -175.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.532 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 18.7 Cg_exo -66.7 -11.54 32.32 Favored 'Trans proline' 0 C--N 1.359 1.129 0 C-N-CA 122.428 2.085 . . . . 0.0 113.245 -176.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -85.9 -39.12 17.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.105 0.478 . . . . 0.0 110.737 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 62.8 mt -85.64 -29.77 6.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.583 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.11 47.64 1.22 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.796 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.435 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 14.7 p -145.99 172.9 12.7 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.3 p -92.62 148.65 36.61 Favored Pre-proline 0 C--N 1.321 -0.635 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.472 176.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.5 -31.99 95.5 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.49 2.127 . . . . 0.0 111.532 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.509 ' O ' HG23 ' A' ' 49' ' ' VAL . 30.1 mt-10 -63.5 -45.61 89.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.637 178.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.8 m -71.92 -39.35 69.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.619 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.44 HD23 HG23 ' A' ' 33' ' ' ILE . 44.2 tp -62.24 -37.81 86.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.304 178.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -61.55 -41.94 98.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.511 176.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 45' ' ' GLU . 95.4 t -62.06 -42.0 93.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.775 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 42.5 m0 -60.62 -43.64 97.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.095 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 47' ' ' LEU . 62.1 t -64.47 -42.37 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.475 178.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -65.46 -39.83 92.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.673 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -67.89 -38.06 82.53 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.415 ' O ' ' HB3' ' A' ' 57' ' ' ASP . 52.8 t-80 -68.23 -19.35 64.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.56 178.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -72.03 -44.62 63.1 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 173.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.427 ' HA ' ' HD3' ' A' ' 56' ' ' ARG . 4.9 mmt180 -77.88 -3.83 43.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.629 179.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' A' ' 54' ' ' HIS . 14.0 t70 -63.13 -37.58 87.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.119 174.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.2 m -71.07 -15.31 62.52 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.562 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.63 74.72 2.22 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.103 -0.57 . . . . 0.0 112.368 -178.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -92.47 126.84 8.7 Favored Glycine 0 N--CA 1.443 -0.884 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.125 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -153.95 167.47 29.62 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -166.53 125.12 1.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.499 0.499 . . . . 0.0 110.789 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.71 106.37 2.05 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.258 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 179.96 76.3 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.508 -0.637 . . . . 0.0 111.508 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.8 mp -101.42 137.63 39.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.911 0.386 . . . . 0.0 110.789 -177.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.0 m -69.89 129.14 38.71 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.26 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.8 p -91.38 143.8 26.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.258 0.551 . . . . 0.0 111.83 -175.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.13 95.02 8.27 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.944 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -76.99 -67.11 0.74 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.236 -176.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.8 ttt85 -120.54 -28.21 4.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.059 0.457 . . . . 0.0 110.565 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -80.15 113.3 18.22 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 172.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.55 107.97 10.4 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.183 -173.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.1 mt -84.57 173.3 10.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.393 174.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -111.72 117.46 32.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.06 0.457 . . . . 0.0 111.08 -178.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -89.18 113.77 57.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 174.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -79.85 174.24 11.88 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 122.79 2.326 . . . . 0.0 113.094 -175.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.456 ' CD ' ' H ' ' A' ' 78' ' ' ARG . 1.3 tm-20 -88.12 -163.0 0.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.612 178.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.456 ' H ' ' CD ' ' A' ' 77' ' ' GLU . 23.8 ttm180 -76.35 -33.13 58.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.117 0.484 . . . . 0.0 110.389 179.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -72.68 105.89 4.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.68 0.753 . . . . 0.0 111.845 -175.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.07 81.37 6.21 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.332 175.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -87.28 165.79 15.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.773 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.19 157.28 38.03 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.011 -175.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 56.0 tp -134.48 -27.49 1.34 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.391 -175.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.465 ' O ' ' HB3' ' A' ' 85' ' ' ARG . 44.5 ttt180 -71.94 -31.34 66.24 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.258 -173.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.465 ' HB3' ' O ' ' A' ' 84' ' ' ARG . 6.8 ttm180 77.21 131.2 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.548 -178.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.3 m -52.5 128.35 25.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.874 -175.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -79.78 -159.62 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 167.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -83.46 157.62 22.37 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 174.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.542 HG22 HH21 ' A' ' 91' ' ' ARG . 46.5 mm -60.49 -37.12 73.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.707 ' HG ' ' H ' ' A' ' 91' ' ' ARG . 12.3 tp 58.2 -168.67 0.13 Allowed 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.254 173.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.707 ' H ' ' HG ' ' A' ' 90' ' ' LEU . 13.9 mtm105 65.6 13.88 9.17 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 122.838 0.455 . . . . 0.0 110.786 177.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 31.1 tp -80.64 126.99 31.96 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -176.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.15 87.51 0.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.318 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.5 t -126.47 91.07 3.29 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 174.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -139.0 171.76 13.84 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.475 -176.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -92.05 60.83 3.88 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.988 0.423 . . . . 0.0 110.008 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 64.63 115.15 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 114.795 -1.093 . . . . 0.0 112.169 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.82 -26.8 62.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.1 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -89.66 143.95 26.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.752 177.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.74 131.94 41.23 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.511 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -72.36 -50.57 25.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.327 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -92.74 143.61 26.13 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 174.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -82.3 154.68 25.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.277 0.56 . . . . 0.0 111.61 -173.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -149.66 -13.81 0.28 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.243 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 92.1 mt -85.82 80.48 8.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.921 0.391 . . . . 0.0 111.879 -169.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -86.18 -15.1 42.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.26 0.552 . . . . 0.0 109.626 171.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -101.4 142.94 32.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.908 175.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt . . . . . 0 C--O 1.25 1.089 0 CA-C-O 119.102 -0.475 . . . . 0.0 110.554 179.063 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.2 ttm . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.399 0.142 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.6 t -83.43 166.62 18.21 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.02 0.438 . . . . 0.0 111.406 -176.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -124.5 -173.43 2.78 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -81.17 104.63 11.78 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 173.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.9 m -78.15 90.19 4.27 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.598 -171.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 66.75 2.5 2.62 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.779 176.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -106.71 101.41 10.85 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.149 0.5 . . . . 0.0 110.145 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.525 ' HB2' HG23 ' A' ' 11' ' ' VAL . 19.6 m -92.38 146.43 32.5 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.927 177.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 8' ' ' SER . 52.7 Cg_exo -55.37 -41.18 80.77 Favored 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 123.096 2.531 . . . . 0.0 113.823 -175.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -75.02 -15.26 60.65 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.565 -174.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.525 HG23 ' HB2' ' A' ' 8' ' ' SER . 81.8 t -58.72 -34.89 53.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 121.325 0.584 . . . . 0.0 110.047 176.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.486 ' O ' HG23 ' A' ' 16' ' ' VAL . 45.7 ttp180 -61.76 -49.3 76.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.39 178.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -61.4 -41.74 97.61 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.568 178.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' A' ' 18' ' ' MET . 26.0 ttt-85 -59.6 -43.0 93.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.311 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.458 ' HB1' HD13 ' A' ' 40' ' ' ILE . . . -61.51 -42.84 99.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.962 178.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.552 HG22 ' HB3' ' A' ' 50' ' ' TRP . 59.8 t -62.25 -44.13 98.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.736 178.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -62.61 -37.44 86.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.739 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.493 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 96.0 mmm -56.59 -46.95 80.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.884 0.373 . . . . 0.0 110.331 177.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.506 ' HA ' HG13 ' A' ' 36' ' ' ILE . 47.4 t -63.07 -48.92 85.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.397 178.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.5 mt -59.82 -45.23 93.04 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.893 -177.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -63.03 -41.3 99.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.18 -177.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.0 m -78.09 -27.2 48.43 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.973 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -62.55 -40.59 97.32 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.936 0.398 . . . . 0.0 110.806 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.03 -6.68 89.04 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.732 178.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -92.88 -43.0 9.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.008 0.433 . . . . 0.0 109.834 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -92.03 178.42 5.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.968 176.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -98.9 -45.43 5.98 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.074 0.464 . . . . 0.0 109.939 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.9 m -83.27 120.27 25.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.532 -176.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -67.23 -45.71 75.94 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.873 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -57.9 -50.0 74.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.181 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.22 -43.18 74.25 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.035 177.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.478 ' O ' HG12 ' A' ' 36' ' ' ILE . 73.8 m -59.86 -52.57 64.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.448 177.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.593 HG23 ' HB2' ' A' ' 47' ' ' LEU . 73.2 mt -54.26 -45.03 67.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.276 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.5 t -73.21 -16.86 61.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.609 -176.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.9 m -95.49 -21.5 18.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.776 0.322 . . . . 0.0 111.505 -178.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.506 HG13 ' HA ' ' A' ' 19' ' ' VAL . 47.0 mm -86.19 -27.97 6.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.089 0.471 . . . . 0.0 110.049 177.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.559 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -51.96 -51.95 66.22 Favored Pre-proline 0 CA--C 1.539 0.525 0 CA-C-N 115.439 -0.801 . . . . 0.0 112.697 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.559 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 12.9 Cg_exo -70.23 -21.89 30.69 Favored 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 122.136 1.89 . . . . 0.0 112.525 -178.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -74.89 -33.58 62.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.949 0.404 . . . . 0.0 110.414 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.51 HD12 HD11 ' A' ' 47' ' ' LEU . 62.9 mt -86.8 -43.62 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.311 177.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.92 47.83 0.99 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.804 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.457 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 17.0 p -152.33 170.35 20.28 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -178.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.7 p -76.39 148.18 80.11 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.627 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.585 ' HA ' HD23 ' A' ' 47' ' ' LEU . 40.7 Cg_exo -57.58 -24.47 62.26 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.603 2.202 . . . . 0.0 111.983 177.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -60.27 -38.68 84.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.194 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.5 m -66.96 -37.6 84.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.898 -178.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.593 ' HB2' HG23 ' A' ' 33' ' ' ILE . 3.4 mm? -63.37 -38.36 90.86 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.48 178.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.465 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 78.8 mtt180 -57.44 -45.68 84.43 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 177.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 64.2 t -65.25 -44.78 95.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.355 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.552 ' HB3' HG22 ' A' ' 16' ' ' VAL . 26.8 m0 -61.28 -46.77 88.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.579 -178.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 88.7 t -64.56 -44.19 96.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.845 0.355 . . . . 0.0 110.231 178.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.465 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 5.6 tpt180 -58.57 -52.18 66.74 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.425 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -62.86 -38.18 89.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.093 -177.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -63.41 -38.16 90.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.993 178.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.504 ' O ' ' HA3' ' A' ' 59' ' ' GLY . 6.5 mm-40 -73.31 -21.45 60.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.788 0.328 . . . . 0.0 111.432 -179.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -86.25 -34.36 20.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.265 0.555 . . . . 0.0 109.965 173.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -72.62 -56.37 5.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.372 -178.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 m -104.71 27.22 8.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.357 0.599 . . . . 0.0 110.083 -177.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.504 ' HA3' ' O ' ' A' ' 55' ' ' GLU . . . -101.28 90.87 0.89 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.384 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -113.46 107.04 1.87 Allowed Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.808 -0.71 . . . . 0.0 111.774 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -94.97 136.61 35.08 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -162.89 104.93 1.03 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.116 176.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -155.52 174.39 33.58 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.007 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.0 -67.72 1.34 Allowed Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.49 -0.862 . . . . 0.0 111.519 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.3 tp 54.01 37.79 27.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.502 0.667 . . . . 0.0 110.337 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.8 m -80.0 66.72 5.57 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.763 0.792 . . . . 0.0 110.523 -177.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.3 m -130.15 98.45 4.74 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.506 176.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -99.64 169.34 9.34 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.224 -178.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -73.33 111.92 8.9 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 177.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.576 ' O ' ' HB2' ' A' ' 71' ' ' GLN . 9.1 ptp180 -58.65 -53.1 62.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.328 -179.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.576 ' HB2' ' O ' ' A' ' 70' ' ' ARG . 55.9 tp60 157.94 -91.58 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.651 1.18 . . . . 0.0 107.955 177.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.437 ' O ' ' HD3' ' A' ' 72' ' ' ARG . 0.0 OUTLIER 178.16 102.64 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.187 -0.915 . . . . 0.0 108.883 175.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.3 mt -90.29 97.14 11.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.6 -173.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -145.12 -44.96 0.22 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.689 178.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.443 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 51.1 mm-40 -65.52 131.8 94.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.376 176.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 75' ' ' GLU . 31.4 Cg_exo -59.03 -64.33 0.11 Allowed 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 122.856 2.371 . . . . 0.0 113.256 -175.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 60.76 42.72 13.1 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.768 0.794 . . . . 0.0 109.174 -176.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.414 ' HA ' ' HD3' ' A' ' 78' ' ' ARG . 9.9 mmt180 -119.24 -30.89 4.82 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.108 -174.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -71.37 131.08 42.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.62 0.248 . . . . 0.0 110.355 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.754 ' HB3' HH21 ' A' ' 84' ' ' ARG . 65.5 t30 59.41 49.8 8.35 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -175.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -64.78 -44.73 89.05 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.952 -178.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 46.0 mt-10 -91.93 153.17 19.67 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 173.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' A' ' 82' ' ' GLU . 80.5 mt 66.51 25.65 10.08 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.637 0.732 . . . . 0.0 109.091 -170.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.754 HH21 ' HB3' ' A' ' 80' ' ' ASN . 1.3 tpm_? -62.13 132.45 52.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.805 -1.088 . . . . 0.0 111.238 -178.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 85' ' ' ARG . 0.7 OUTLIER -91.4 120.53 32.33 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 172.351 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.8 m -74.79 108.25 7.41 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.347 0.594 . . . . 0.0 111.334 -175.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -129.63 177.84 6.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.473 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.418 ' O ' ' HB ' ' A' ' 89' ' ' ILE . 7.6 p-10 -84.78 35.02 0.55 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.473 -178.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.418 ' HB ' ' O ' ' A' ' 88' ' ' ASP . 49.7 mm 72.89 151.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.704 178.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.7 mp -60.78 118.34 6.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.083 0.468 . . . . 0.0 110.241 176.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 37.5 ttt-85 -135.83 137.5 41.59 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.363 -178.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 55.1 tp -104.14 -80.58 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.365 -0.38 . . . . 0.0 109.993 176.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -174.06 153.58 2.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.89 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.1 t -104.8 -79.22 0.56 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 176.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.9 142.14 27.82 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 176.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -89.56 19.51 4.53 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -175.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.422 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 92.7 m-85 72.04 -51.59 0.7 Allowed 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 170.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 97' ' ' PHE . . . 73.99 -51.1 0.69 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.588 0.755 . . . . 0.0 109.783 -170.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -126.38 110.15 13.03 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 169.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -113.39 13.63 19.02 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.106 0.479 . . . . 0.0 110.676 -176.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -67.14 100.87 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.29 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -66.3 -34.45 78.03 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 175.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 24.0 t0 59.79 78.66 0.26 Allowed 'General case' 0 C--O 1.232 0.165 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.881 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -136.42 25.97 3.17 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.663 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.0 mt -81.72 69.78 8.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.212 -0.903 . . . . 0.0 110.984 -177.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -88.96 164.01 15.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.202 175.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp 70.3 168.17 0.3 Allowed 'General case' 0 C--O 1.235 0.326 0 O-C-N 123.789 0.681 . . . . 0.0 111.245 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 90.2 mttt . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.551 -0.738 . . . . 0.0 109.864 -178.028 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.9 t -99.17 144.64 28.07 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 175.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.522 ' HG2' ' H ' ' A' ' 4' ' ' ASN . 36.2 ttpt -133.86 171.04 14.72 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.522 ' H ' ' HG2' ' A' ' 3' ' ' LYS . 32.0 p30 -63.18 159.58 17.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.259 0.552 . . . . 0.0 111.178 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.1 t -90.81 -179.18 5.44 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.318 176.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.736 HH11 ' HA ' ' A' ' 6' ' ' ARG . 8.2 mmm180 -86.96 -3.0 59.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.248 0.546 . . . . 0.0 110.715 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -83.39 77.8 9.75 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 163.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.9 m -55.49 142.47 60.67 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.738 -170.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -51.05 -43.22 49.33 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.564 2.842 . . . . 0.0 112.696 -178.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.95 -45.54 93.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.677 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.19 -43.93 99.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.527 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.477 ' O ' HG23 ' A' ' 16' ' ' VAL . 61.5 ttp180 -61.06 -46.29 91.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.469 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -65.53 -41.12 93.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.128 0.489 . . . . 0.0 110.156 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -59.88 -43.19 94.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.007 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.509 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -60.76 -46.5 90.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.163 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 12' ' ' ARG . 85.6 t -56.76 -48.04 81.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.797 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -66.71 -41.3 88.19 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.667 177.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 48.2 ttm -56.95 -38.61 73.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.857 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 15' ' ' ALA . 97.8 t -61.94 -53.11 52.32 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.516 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.572 176.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 92.3 mt -62.18 -43.6 98.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.109 0.481 . . . . 0.0 111.154 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -61.71 -36.97 82.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.694 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.5 m -85.93 -23.73 26.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.702 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -59.22 -41.59 89.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.869 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.12 -33.57 80.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.368 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -83.48 -42.05 17.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.716 0.293 . . . . 0.0 111.25 -178.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -66.2 162.83 19.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.742 0.782 . . . . 0.0 112.472 -176.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.78 -40.0 61.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.831 178.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 p -143.29 163.53 32.74 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.925 0.393 . . . . 0.0 111.901 -173.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -59.49 -52.62 64.81 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.94 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -63.1 -36.89 85.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 -175.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.17 -25.44 67.77 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.998 0.428 . . . . 0.0 111.009 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.4 m -80.94 -44.76 17.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.61 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 76.6 mt -66.49 -47.32 84.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.837 -176.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.8 p -69.88 -18.25 63.4 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -172.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.4 p -93.62 -33.22 13.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.735 0.302 . . . . 0.0 111.562 -178.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.2 mt -83.47 -35.48 11.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.679 -177.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.436 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -52.54 -53.98 47.64 Favored Pre-proline 0 CA--C 1.54 0.59 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -175.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 33.8 Cg_endo -63.48 -22.56 71.07 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.952 1.768 . . . . 0.0 112.129 -179.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -78.7 -20.74 49.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.202 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.8 mt -82.11 -40.23 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.371 0.605 . . . . 0.0 109.769 175.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.15 -9.98 8.85 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.439 -0.8 . . . . 0.0 112.131 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 22.7 p -106.49 -177.57 3.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.767 0.318 . . . . 0.0 110.636 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.1 p -91.08 162.54 32.28 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.923 178.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.477 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 51.0 Cg_exo -55.94 -32.54 86.01 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.796 2.33 . . . . 0.0 112.331 179.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -50.04 -51.46 42.12 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.991 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.2 m -61.2 -42.98 99.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.131 -178.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.418 ' O ' HG23 ' A' ' 51' ' ' VAL . 32.9 tp -69.03 -36.85 78.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -176.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 44' ' ' PRO . 32.1 mtp-105 -55.2 -41.72 72.34 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.932 0.396 . . . . 0.0 110.588 176.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.8 t -65.79 -48.43 82.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.888 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 50.7 m0 -57.51 -47.27 82.4 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.159 -177.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 47' ' ' LEU . 63.6 t -63.42 -47.13 93.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.02 -179.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -65.11 -37.98 89.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.789 -177.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -57.96 -50.57 72.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.022 0.439 . . . . 0.0 110.579 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -66.77 -34.03 76.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.102 -178.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -69.49 -35.01 75.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 53.8 ttm-85 -79.88 -27.97 39.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.066 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -87.99 -53.95 4.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.575 -178.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 34.6 m -83.1 98.2 9.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.153 0.502 . . . . 0.0 111.163 -174.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 144.46 -89.56 0.16 Allowed Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.388 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.1 -81.32 0.56 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.621 -176.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -143.91 98.49 3.24 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 176.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -100.64 12.21 37.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.307 -174.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -94.42 143.59 16.65 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.962 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.15 -97.33 0.11 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.237 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.8 mp -103.16 115.16 30.04 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.912 0.387 . . . . 0.0 110.633 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.4 m -79.94 -53.88 6.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.264 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.7 m 58.62 18.87 6.19 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 121.504 0.669 . . . . 0.0 111.885 176.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.57 97.39 11.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.929 -0.482 . . . . 0.0 110.699 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -169.13 -74.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.938 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 32.8 ttp-105 -101.45 -53.76 2.92 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.237 -172.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -128.0 101.56 6.36 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.206 -178.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -96.77 -39.81 9.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.122 174.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.1 tt -86.88 102.5 14.39 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.62 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -104.38 108.03 19.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.265 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -151.25 92.89 3.69 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.766 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -75.28 157.9 41.36 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 123.07 2.514 . . . . 0.0 111.285 176.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -97.59 -78.66 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.267 0.556 . . . . 0.0 109.631 177.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -141.21 10.88 2.14 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 177.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 50.84 80.83 0.07 Allowed 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.173 -171.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -87.66 -8.54 56.03 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.348 -1.296 . . . . 0.0 111.194 -167.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -100.88 108.53 20.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 0.0 110.34 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -89.92 167.08 13.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.136 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 98.4 mt 69.61 -63.1 0.39 Allowed 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.743 0.652 . . . . 0.0 111.372 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -133.95 130.39 37.61 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -73.26 -177.15 2.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.178 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.5 m -56.24 140.69 43.83 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.961 0.41 . . . . 0.0 112.085 -175.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -93.26 -176.24 4.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.34 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -113.64 -43.74 3.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.903 0.382 . . . . 0.0 110.843 -178.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.3 tp -133.27 137.26 53.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.175 -178.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.413 ' N ' HD23 ' A' ' 90' ' ' LEU . 1.4 pt? -136.66 -19.76 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.955 0.407 . . . . 0.0 111.469 -179.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -89.38 -50.09 6.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.021 0.438 . . . . 0.0 110.467 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.864 ' HG ' ' H ' ' A' ' 93' ' ' ALA . 20.9 tp -89.37 -168.54 2.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.217 178.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.864 ' H ' ' HG ' ' A' ' 92' ' ' LEU . . . 64.06 33.09 12.4 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.174 0.511 . . . . 0.0 110.718 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.9 t -101.63 6.32 41.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.566 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -91.23 156.09 18.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.607 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -103.77 132.87 49.63 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.935 176.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -96.38 -69.01 0.77 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.254 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.03 132.75 25.57 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.337 178.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 100' ' ' ALA . 21.7 ttpp -63.22 -37.32 86.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.688 177.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 99' ' ' LYS . . . 75.26 137.11 0.06 Allowed 'General case' 0 N--CA 1.464 0.256 0 O-C-N 124.323 1.015 . . . . 0.0 110.07 -174.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -83.91 98.06 9.57 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.186 0.517 . . . . 0.0 110.35 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -87.2 165.04 16.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.382 175.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 104' ' ' ARG . 4.7 t70 70.17 43.53 0.85 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.932 0.77 . . . . 0.0 109.88 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' A' ' 103' ' ' ASP . 87.6 mtm180 73.57 165.49 0.29 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.877 -179.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 60.4 tp -94.33 105.32 17.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.324 178.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.29 36.5 0.47 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.526 178.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm 65.38 103.19 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.768 0.668 . . . . 0.0 111.475 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 45.4 tttm . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.317 -0.849 . . . . 0.0 109.423 -179.553 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.2 tpp . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 120.596 0.236 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.5 t -97.66 -23.56 15.9 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.021 -0.271 . . . . 0.0 110.845 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -70.2 -62.19 1.48 Allowed 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 171.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -139.96 151.09 45.25 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.75 -1.114 . . . . 0.0 109.078 174.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.2 m -106.84 -35.46 6.94 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.602 0.715 . . . . 0.0 109.237 176.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -118.19 129.79 55.71 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.701 -1.136 . . . . 0.0 109.11 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.463 ' HE1' ' HD3' ' A' ' 12' ' ' ARG . 16.6 p90 -74.92 169.22 18.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.954 0.407 . . . . 0.0 112.096 -174.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.444 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 5.8 m -66.56 121.36 76.81 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.156 -170.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 8' ' ' SER . 16.8 Cg_exo -68.53 -30.04 29.57 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 123.381 2.721 . . . . 0.0 113.288 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -65.48 -35.75 81.82 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -178.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.4 t -60.75 -37.52 76.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.272 176.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.463 ' HD3' ' HE1' ' A' ' 7' ' ' PHE . 27.5 mtm180 -69.58 -39.58 77.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.21 178.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -59.92 -42.75 94.63 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.16 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -58.33 -49.0 78.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.464 175.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.571 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -55.97 -53.73 53.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.391 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.409 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 74.7 t -59.48 -48.59 86.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.324 -178.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.3 mtm180 -65.63 -35.21 80.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.179 -178.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 35.1 ttp -68.53 -32.03 71.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.872 0.368 . . . . 0.0 110.577 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 15' ' ' ALA . 94.4 t -66.85 -43.48 89.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 173.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 87.9 mt -62.51 -44.35 96.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.636 178.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -54.79 -45.22 74.3 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.125 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.5 p -84.12 -26.6 28.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.486 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -64.61 -28.22 69.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.919 0.39 . . . . 0.0 110.586 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.75 1.82 61.2 Favored Glycine 0 CA--C 1.522 0.484 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.349 176.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -119.23 -32.04 4.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.273 0.559 . . . . 0.0 110.183 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -86.62 -170.65 3.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.495 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -114.01 -58.27 2.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.557 177.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.4 m -94.24 135.84 35.19 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.155 -176.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -67.5 -33.04 74.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.208 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.443 ' HH2' ' HD2' ' A' ' 48' ' ' ARG . 72.3 m95 -71.95 -22.37 61.47 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.348 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.66 -32.2 72.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.469 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.3 p -84.25 -43.01 15.3 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.876 177.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.518 ' HA ' HD23 ' A' ' 47' ' ' LEU . 83.1 mt -57.63 -50.63 76.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.495 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.519 ' HA ' ' HB3' ' A' ' 44' ' ' PRO . 67.8 m -72.74 -12.19 60.91 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -175.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.9 t -98.48 -42.89 7.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.743 0.306 . . . . 0.0 110.946 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.5 mt -73.6 -38.72 52.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -174.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.586 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -56.35 -52.61 71.78 Favored Pre-proline 0 CA--C 1.538 0.519 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -177.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.586 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 17.5 Cg_exo -67.85 -19.97 46.07 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 121.856 1.704 . . . . 0.0 112.227 178.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -76.17 -35.76 59.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.676 177.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 72.6 mt -74.74 -52.85 18.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.176 175.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.94 42.94 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.469 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.3 p -153.64 172.91 16.5 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.1 p -87.44 150.0 47.94 Favored Pre-proline 0 C--N 1.319 -0.753 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 177.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.519 ' HB3' ' HA ' ' A' ' 34' ' ' CYS . 7.9 Cg_endo -49.91 -36.59 44.01 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.687 2.925 . . . . 0.0 114.807 -171.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -68.92 -27.77 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.091 -174.611 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.2 m -70.63 -35.8 73.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.135 0.493 . . . . 0.0 110.299 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' A' ' 33' ' ' ILE . 51.7 tp -64.55 -36.95 85.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.132 177.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.443 ' HD2' ' HH2' ' A' ' 30' ' ' TRP . 68.8 ttt180 -60.45 -40.7 92.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.43 176.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 45' ' ' GLU . 57.4 t -59.62 -40.96 83.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.639 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 53.2 m0 -66.6 -42.8 86.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.812 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.423 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 99.0 t -61.85 -44.37 98.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 176.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -54.45 -39.19 67.18 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.2 177.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.623 HE21 ' HA ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -61.84 -47.07 86.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.556 178.01 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -68.72 -27.45 65.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -177.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 51' ' ' VAL . 50.7 mt-10 -67.62 -36.65 81.21 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 174.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -60.01 -42.19 93.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.227 177.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -59.39 -33.94 71.82 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 176.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.7 m -76.58 -36.22 57.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.522 -176.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.11 -32.57 10.48 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.952 -177.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.03 -28.86 74.01 Favored Glycine 0 C--N 1.329 0.194 0 C-N-CA 121.324 -0.465 . . . . 0.0 113.217 -177.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -147.46 152.68 38.47 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -60.68 -33.05 72.26 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.774 0.321 . . . . 0.0 111.013 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 148.12 -76.83 0.25 Allowed Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.303 -0.951 . . . . 0.0 113.005 178.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -150.64 29.52 1.04 Allowed Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.293 -0.956 . . . . 0.0 113.215 -176.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.2 tt -89.5 126.48 35.6 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.8 t -151.97 170.55 19.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.542 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 38.5 m -89.78 106.61 18.58 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.147 -177.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -140.33 -72.68 0.36 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.227 176.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 59.41 105.09 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 O-C-N 123.863 0.727 . . . . 0.0 111.21 -177.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.3 mtp85 -78.68 75.63 5.19 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.817 -174.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 64.23 98.23 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.349 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -73.17 -34.83 66.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.255 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.7 mt -99.78 176.23 5.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.979 173.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -72.05 -59.9 2.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.229 0.538 . . . . 0.0 110.432 -178.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -92.2 128.3 45.69 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.093 -177.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -62.03 -36.56 70.19 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.24 1.96 . . . . 0.0 109.972 170.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 53.55 59.81 4.1 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 114.499 -1.228 . . . . 0.0 110.913 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -77.73 73.86 4.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.147 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -82.77 72.83 9.84 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.383 -176.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -152.56 40.05 0.58 Allowed 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.27 -1.382 . . . . 0.0 107.27 174.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -60.83 -39.28 88.44 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.374 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.461 ' HB2' ' NH1' ' A' ' 84' ' ' ARG . 1.9 mp0 -78.57 101.41 7.4 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 171.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 96.1 mt -73.35 86.28 1.48 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.315 0.578 . . . . 0.0 110.566 -176.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.461 ' NH1' ' HB2' ' A' ' 82' ' ' GLU . 12.8 ptt-85 -107.2 37.02 2.49 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.168 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -92.78 159.49 15.38 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.811 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 63.1 m -83.55 97.32 8.97 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 174.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -95.66 -32.56 12.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.78 -178.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -118.21 130.03 55.84 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -178.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 61.8 mt -94.79 104.66 16.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.869 0.366 . . . . 0.0 110.961 -176.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.582 ' HB3' ' HB2' ' A' ' 93' ' ' ALA . 8.0 mp -80.94 84.75 6.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.283 178.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -80.08 -62.54 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.017 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 65.5 tp -94.43 -40.24 10.02 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 173.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.582 ' HB2' ' HB3' ' A' ' 90' ' ' LEU . . . 57.59 40.07 27.1 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.239 177.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.1 p -62.34 101.81 0.26 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 121.306 0.574 . . . . 0.0 110.652 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -89.9 153.02 20.95 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.916 -178.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.402 ' O ' ' HB3' ' A' ' 97' ' ' PHE . 86.7 m-85 -84.62 107.26 16.74 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.176 177.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.402 ' HB3' ' O ' ' A' ' 96' ' ' TYR . 84.3 t80 67.84 -79.18 0.04 OUTLIER 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.996 0.81 . . . . 0.0 110.082 -172.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 170.36 -176.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -87.7 96.33 10.4 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 171.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.88 152.23 16.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.143 -172.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.8 148.66 26.89 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.324 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -136.17 60.34 1.68 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.338 -0.846 . . . . 0.0 108.863 178.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -99.1 -1.9 38.38 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.146 -177.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.44 ' HA ' ' HD3' ' A' ' 104' ' ' ARG . 3.4 mmt180 -90.96 98.31 11.7 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.601 -177.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.1 tt -135.75 109.58 8.13 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 177.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 25.7 t90 -148.87 167.25 26.2 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 -176.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -61.41 104.62 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.113 0.482 . . . . 0.0 110.929 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 27.1 tptp . . . . . 0 C--O 1.249 1.072 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.586 -177.533 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ttt . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 120.843 0.354 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.3 t -174.46 151.63 1.59 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -89.56 96.1 10.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.158 0.504 . . . . 0.0 111.353 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.445 HD22 ' HA ' ' A' ' 4' ' ' ASN . 9.2 m120 -115.62 122.4 45.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.598 173.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.1 m -62.14 136.66 58.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.102 -176.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 6' ' ' ARG . 64.8 mtt180 -70.06 116.69 10.73 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 175.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -72.78 118.24 15.47 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.618 -172.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.516 ' HB3' HG23 ' A' ' 11' ' ' VAL . 35.4 t -67.87 136.9 92.33 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.203 175.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.38 -32.36 88.45 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.883 2.389 . . . . 0.0 112.108 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 14' ' ' ARG . 18.7 tp10 -64.63 -40.59 95.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.42 179.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.516 HG23 ' HB3' ' A' ' 8' ' ' SER . 57.5 t -64.64 -42.13 94.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.394 0.616 . . . . 0.0 110.251 179.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.492 ' NH2' ' HG2' ' A' ' 53' ' ' GLN . 38.7 ttt180 -61.15 -44.4 97.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.917 177.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -66.14 -41.39 90.51 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.065 177.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 96.0 mtt180 -56.59 -41.92 77.83 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.092 0.245 . . . . 0.0 110.871 177.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.402 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -56.95 -55.66 31.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.761 178.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.443 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 43.5 t -63.62 -39.79 86.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.782 179.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -59.08 -49.27 78.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.262 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 67.1 mtt -61.41 -42.34 98.57 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 120.812 0.339 . . . . 0.0 110.509 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 23' ' ' GLN . 73.7 t -61.0 -46.36 96.79 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.267 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.776 178.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 85.8 mt -62.78 -45.56 92.09 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.597 0.236 . . . . 0.0 111.148 -179.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -62.77 -42.32 99.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.825 0.345 . . . . 0.0 110.463 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.44 ' O ' ' HB3' ' A' ' 25' ' ' GLU . 17.2 m -76.08 -14.91 60.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.629 179.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.704 ' NE2' ' HA ' ' A' ' 29' ' ' GLN . 4.8 tp-100 -83.32 -15.17 51.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.312 0.577 . . . . 0.0 109.568 177.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.54 -6.8 89.11 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 167.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' A' ' 22' ' ' SER . 4.9 tp10 -99.0 -51.43 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.088 -0.556 . . . . 0.0 109.749 178.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -99.58 -176.25 3.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.959 -178.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -116.44 -32.27 5.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.814 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.9 m -87.96 133.03 34.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.984 -177.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.704 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 58.6 tt0 -70.82 -51.01 29.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.881 -173.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.474 ' HD1' ' HD2' ' A' ' 48' ' ' ARG . 27.6 t90 -69.05 -25.76 64.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.605 0.24 . . . . 0.0 110.864 -174.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.73 -34.86 71.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.406 0.622 . . . . 0.0 110.298 176.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.429 ' CG2' ' HB2' ' A' ' 22' ' ' SER . 9.9 m -77.73 -40.38 41.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.107 177.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.636 HG23 ' HB3' ' A' ' 47' ' ' LEU . 50.5 mm -57.93 -49.58 80.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.492 -178.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.1 p -73.64 -5.77 42.51 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -175.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.9 m -98.34 -40.94 8.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.991 0.424 . . . . 0.0 110.808 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.0 mm -83.89 -41.93 16.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.725 -175.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.457 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -53.55 -52.91 62.6 Favored Pre-proline 0 CA--C 1.539 0.555 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -176.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.457 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 37.7 Cg_endo -65.66 -22.61 57.56 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.151 1.901 . . . . 0.0 112.866 -178.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -73.5 -42.3 62.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.834 0.35 . . . . 0.0 110.201 178.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.3 mt -72.03 -34.29 50.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.353 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 112.71 37.79 1.38 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.341 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.3 p -140.16 169.93 16.77 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.408 ' HB ' ' OE2' ' A' ' 45' ' ' GLU . 21.7 p -96.98 151.51 37.78 Favored Pre-proline 0 C--N 1.321 -0.632 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.234 178.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -53.28 -29.16 45.96 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.796 2.997 . . . . 0.0 114.368 -175.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.482 ' O ' HG23 ' A' ' 49' ' ' VAL . 2.4 mp0 -53.3 -54.99 28.36 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.224 0.535 . . . . 0.0 110.566 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.7 m -67.94 -33.39 74.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.287 -175.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.636 ' HB3' HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -61.44 -44.5 97.01 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.474 ' HD2' ' HD1' ' A' ' 30' ' ' TRP . 15.3 mtp180 -65.09 -32.16 73.73 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.327 178.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 45' ' ' GLU . 95.3 t -64.09 -40.96 90.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.455 178.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 34.7 m0 -65.99 -39.94 90.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.955 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 47' ' ' LEU . 60.0 t -64.12 -47.65 89.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.534 178.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.442 ' O ' ' HB3' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -63.85 -29.68 70.85 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.778 178.2 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.492 ' HG2' ' NH2' ' A' ' 12' ' ' ARG . 6.8 tp-100 -66.59 -50.9 61.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.186 177.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.552 ' HA ' ' HB3' ' A' ' 57' ' ' ASP . 84.3 t60 -67.43 -26.31 66.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.325 178.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.442 ' HB3' ' O ' ' A' ' 52' ' ' ARG . 32.8 tt0 -58.65 -48.9 79.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.818 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 66.7 mtm-85 -76.39 -27.43 56.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.139 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.552 ' HB3' ' HA ' ' A' ' 54' ' ' HIS . 4.6 t70 -61.22 -44.92 96.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.758 175.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.791 HG23 ' HB2' ' A' ' 61' ' ' ASP . 17.6 m -80.38 80.42 6.82 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.286 0.565 . . . . 0.0 110.428 178.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -94.79 76.06 0.93 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.121 -177.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.98 31.35 35.46 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.132 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.791 ' HB2' HG23 ' A' ' 58' ' ' THR . 5.8 m-20 -86.71 17.3 4.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.933 0.397 . . . . 0.0 111.413 -178.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -95.05 -7.66 38.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.376 177.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 105.1 -31.92 8.05 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.352 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.28 -68.36 0.54 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.873 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 65' ' ' LEU . 3.9 mm? -105.86 83.32 1.9 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.354 0.597 . . . . 0.0 110.689 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.9 t -92.95 146.61 23.5 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.321 173.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 61.5 m -68.14 -46.02 71.98 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 177.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.598 ' HB3' ' HG3' ' A' ' 71' ' ' GLN . . . 58.15 107.2 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 O-C-N 124.056 0.847 . . . . 0.0 112.437 177.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.449 ' CD ' HH21 ' A' ' 72' ' ' ARG . 9.4 tp10 -65.25 -18.99 65.75 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.928 177.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 70' ' ' ARG . 24.0 mtm180 -79.86 -0.92 36.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.73 -177.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.598 ' HG3' ' HB3' ' A' ' 68' ' ' ALA . 19.0 mt-30 -75.29 2.02 12.2 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.362 178.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.449 HH21 ' CD ' ' A' ' 69' ' ' GLU . 49.4 mtm180 -90.81 -8.23 50.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.164 0.507 . . . . 0.0 110.155 172.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.9 mt -83.84 -46.52 12.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.084 177.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -118.75 139.36 51.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.795 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.479 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 1.2 mp0 -67.01 118.56 56.66 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 176.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 75' ' ' GLU . 21.5 Cg_exo -66.87 -29.64 41.33 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 123.093 2.529 . . . . 0.0 112.63 -177.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -130.72 -155.85 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.194 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.477 ' HG2' ' H ' ' A' ' 79' ' ' GLU . 32.9 ttm180 74.42 170.47 0.29 Allowed 'General case' 0 CA--C 1.532 0.278 0 O-C-N 123.899 0.749 . . . . 0.0 109.475 -175.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.477 ' H ' ' HG2' ' A' ' 78' ' ' ARG . 12.2 mm-40 73.37 -10.45 1.03 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.247 0.619 . . . . 0.0 111.47 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -84.06 -33.46 24.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.031 0.444 . . . . 0.0 110.605 -178.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -104.26 146.08 29.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.185 -178.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.467 ' CD ' ' H ' ' A' ' 83' ' ' LEU . 1.2 tm-20 -135.13 -179.41 5.61 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 -178.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.467 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 95.4 mt -77.56 -39.59 45.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 173.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.418 ' H ' ' HG3' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -81.6 153.75 26.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.279 173.064 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 67.01 93.74 0.07 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.642 0.734 . . . . 0.0 109.899 -170.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 31.1 t -138.32 167.05 22.68 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.261 -177.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -111.06 23.13 14.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.545 0.688 . . . . 0.0 110.6 -177.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -93.39 163.34 13.63 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 172.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 60.6 mt 65.73 81.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 121.547 0.689 . . . . 0.0 109.767 -171.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 98.9 mt -89.89 127.98 36.11 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.262 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -99.19 16.66 22.11 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.081 0.467 . . . . 0.0 110.431 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.2 mt -116.93 125.95 52.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.819 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -158.77 33.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.755 0.312 . . . . 0.0 110.797 -177.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.3 m -53.69 -74.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.636 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -167.83 153.91 7.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.715 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -144.55 107.0 4.38 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 174.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -91.22 -12.09 36.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.523 -172.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.17 165.2 18.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.881 0.372 . . . . 0.0 110.779 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -70.11 115.37 9.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.909 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -129.41 -156.94 0.79 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.441 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -71.66 118.3 14.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.419 178.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -85.56 102.45 13.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.799 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -145.89 151.52 37.98 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.694 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -72.28 127.44 32.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.932 0.396 . . . . 0.0 111.116 -177.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 98.2 mt -92.31 90.47 7.27 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.05 178.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -80.59 114.42 19.47 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.354 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.455 ' HD3' ' C ' ' A' ' 107' ' ' LYS . 13.1 tmtt? -100.12 131.0 46.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.724 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.442 ' N ' ' HD3' ' A' ' 107' ' ' LYS . 43.6 tttp . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.624 -0.703 . . . . 0.0 109.656 176.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.3 m -80.81 -30.2 35.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.638 -172.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -88.0 93.29 9.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.199 0.523 . . . . 0.0 111.438 -177.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -104.07 134.29 47.59 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 170.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.4 m -58.35 97.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.245 0.545 . . . . 0.0 111.689 -177.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -150.41 -32.99 0.18 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.216 178.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 63.93 176.08 0.17 Allowed 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.78 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.9 m -70.86 147.72 94.31 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.362 -177.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.47 -33.5 57.59 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 123.39 2.726 . . . . 0.0 112.426 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -52.08 -58.8 5.49 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.027 0.442 . . . . 0.0 110.822 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.5 t -70.51 -44.68 76.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.731 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.404 ' O ' HG23 ' A' ' 16' ' ' VAL . 4.5 ttp180 -62.73 -43.53 98.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.007 -175.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.481 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 72.1 mm-40 -62.8 -50.51 70.73 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.377 177.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.5 ttm-85 -56.81 -46.61 81.52 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.683 0.277 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -58.55 -58.17 9.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.471 -178.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.506 HG11 ' CB ' ' A' ' 54' ' ' HIS . 55.5 t -63.17 -43.13 98.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.765 -174.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 13' ' ' GLN . 56.3 mtp180 -64.9 -31.71 73.07 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.737 -178.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 47.1 ttp -72.14 -38.5 69.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.973 175.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 15' ' ' ALA . 84.5 t -63.1 -45.08 99.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.271 175.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 97.3 mt -63.18 -36.33 83.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.072 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -56.41 -58.2 9.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.816 177.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.5 m -79.73 -8.97 59.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.343 -177.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -68.15 -37.44 81.03 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 173.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.1 -26.73 73.24 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.661 175.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -70.78 -49.53 45.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.996 0.427 . . . . 0.0 110.591 177.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -85.71 165.47 16.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.274 0.559 . . . . 0.0 111.896 -177.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -82.64 -55.34 4.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.641 176.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.8 m -97.53 133.18 42.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.808 -176.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -60.87 -43.9 97.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.773 -175.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 52.2 p-90 -59.3 -28.43 66.77 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.334 -176.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.04 -31.31 70.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.944 0.402 . . . . 0.0 110.811 -178.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.8 m -80.42 -44.35 19.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.319 0.58 . . . . 0.0 110.501 177.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.65 HG23 HD23 ' A' ' 47' ' ' LEU . 70.8 mt -60.86 -45.85 97.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.357 -0.838 . . . . 0.0 112.14 -175.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.7 p -69.99 -9.55 55.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 111.75 -177.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.8 t -98.38 -13.18 20.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.995 0.426 . . . . 0.0 110.819 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.7 mt -108.62 -35.95 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 122.243 -0.285 . . . . 0.0 111.541 -176.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.72 -53.21 56.77 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 112.667 0.618 . . . . 0.0 112.667 -177.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.26 -12.67 30.24 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 121.872 1.715 . . . . 0.0 112.66 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -82.99 -36.64 24.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.524 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 68.0 mt -83.76 -52.13 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.499 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.46 47.1 0.11 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.956 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.3 p -146.9 171.65 14.89 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.0 p -87.75 158.84 50.3 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.527 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 51.6 Cg_exo -54.01 -34.51 77.52 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.487 2.125 . . . . 0.0 111.322 175.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.478 ' O ' HG23 ' A' ' 49' ' ' VAL . 32.4 tt0 -65.74 -52.02 54.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.473 177.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.9 m -56.44 -42.13 77.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.527 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.65 HD23 HG23 ' A' ' 33' ' ' ILE . 26.9 tp -68.67 -37.1 79.34 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.708 -179.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.633 ' HG2' HD13 ' A' ' 33' ' ' ILE . 10.7 mtp180 -61.17 -40.59 94.48 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.758 0.313 . . . . 0.0 110.251 175.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 45' ' ' GLU . 84.5 t -60.45 -44.16 95.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.724 178.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 42.9 m0 -63.31 -43.14 98.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.57 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 47' ' ' LEU . 58.0 t -63.74 -46.21 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.859 0.362 . . . . 0.0 110.227 177.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -60.55 -39.06 86.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.331 178.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -68.27 -33.89 75.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.179 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.506 ' CB ' HG11 ' A' ' 16' ' ' VAL . 11.0 t-80 -63.91 -43.2 96.64 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.71 -36.18 82.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.377 0.608 . . . . 0.0 110.102 175.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -59.75 -36.27 76.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.927 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -96.05 -30.66 13.44 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -177.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.9 m -105.61 -10.46 16.81 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -171.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.49 106.33 1.65 Allowed Glycine 0 CA--C 1.518 0.247 0 C-N-CA 120.716 -0.755 . . . . 0.0 113.064 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 165.55 105.27 0.19 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.325 178.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -93.9 -56.23 2.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.835 0.35 . . . . 0.0 110.734 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.3 t70 73.17 -74.99 0.08 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.344 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 146.2 53.9 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 119.646 -1.264 . . . . 0.0 114.448 175.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.8 -70.48 1.73 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 114.818 0.687 . . . . 0.0 114.818 169.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.5 mp -66.11 96.21 0.32 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.077 0.465 . . . . 0.0 111.961 -172.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.7 t -171.32 162.31 6.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.392 177.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.2 m -83.6 82.65 8.21 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.224 0.535 . . . . 0.0 109.869 177.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -166.26 -172.9 2.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.587 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 61.41 26.91 16.61 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.233 0.539 . . . . 0.0 110.25 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.33 35.5 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.757 -174.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -83.45 73.03 10.22 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.18 0.514 . . . . 0.0 111.128 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -109.97 127.11 54.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.741 175.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.9 mp -79.5 -6.07 56.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.078 -177.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -93.74 41.05 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.456 0.646 . . . . 0.0 110.067 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -75.69 151.88 84.91 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.119 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.75 113.77 1.4 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.803 2.335 . . . . 0.0 111.728 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -160.19 -45.54 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.176 -175.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -97.03 -15.37 21.07 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.895 -177.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.475 ' HB3' ' HB3' ' A' ' 82' ' ' GLU . 7.1 mp0 -77.42 72.9 3.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.624 -178.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -90.6 -52.38 4.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.953 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 81' ' ' ARG . 42.6 mtp180 -87.55 -18.1 30.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.229 177.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.475 ' HB3' ' HB3' ' A' ' 79' ' ' GLU . 14.1 tp10 -76.32 101.16 5.38 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 175.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 30.1 tp -126.56 -27.09 3.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.672 -170.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 68.2 -79.55 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.407 0.683 . . . . 0.0 111.868 -178.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 50.5 mtm-85 65.93 -178.19 0.19 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.572 0.749 . . . . 0.0 110.653 -172.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.9 m -100.3 95.01 6.49 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.946 0.403 . . . . 0.0 110.619 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -157.88 172.72 17.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.089 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -79.69 104.11 10.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.67 0.748 . . . . 0.0 110.132 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.8 tt -89.83 101.61 12.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.328 -177.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.0 tt -125.04 96.38 4.84 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 173.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -65.68 -32.79 74.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.809 -170.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 49.4 tp -73.73 78.81 1.55 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.297 0.57 . . . . 0.0 110.327 177.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -111.4 8.47 21.26 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.987 177.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.2 m -61.17 -64.01 1.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.431 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -173.33 -70.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.024 177.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.493 ' CE2' ' HB2' ' A' ' 98' ' ' ALA . 47.2 p90 -158.24 157.73 33.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.018 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -84.05 97.8 9.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.725 0.774 . . . . 0.0 111.131 -177.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.493 ' HB2' ' CE2' ' A' ' 96' ' ' TYR . . . -103.1 163.7 12.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.324 178.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -79.82 92.15 5.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.927 0.394 . . . . 0.0 110.658 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 69.81 121.13 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.61 176.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -74.17 -47.78 33.52 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.209 173.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -125.93 91.64 3.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.895 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -71.99 -40.89 68.25 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 172.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.78 168.5 26.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.684 -1.144 . . . . 0.0 108.466 175.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 60.6 mt -80.66 38.01 0.43 Allowed 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.592 0.589 . . . . 0.0 112.592 -172.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 55.71 82.37 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 123.81 0.844 . . . . 0.0 112.693 172.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -128.78 -48.99 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 173.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 55.8 pttt . . . . . 0 C--O 1.245 0.816 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.426 172.371 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.4 mtt . . . . . 0 N--CA 1.481 1.082 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 55.5 m -61.6 114.61 3.36 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.312 0.577 . . . . 0.0 111.692 -176.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -116.07 -160.84 0.77 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.103 177.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -94.75 64.18 2.91 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 173.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.7 m -65.4 137.31 57.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.043 -176.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.6 ptp85 -69.72 131.15 44.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.172 0.511 . . . . 0.0 110.651 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -98.14 135.7 39.42 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.715 178.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.516 ' HB2' HG23 ' A' ' 11' ' ' VAL . 12.7 m -56.25 134.48 75.46 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.281 178.093 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.26 -34.88 81.48 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.204 2.603 . . . . 0.0 112.43 -177.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -65.07 -40.63 94.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.907 178.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.516 HG23 ' HB2' ' A' ' 8' ' ' SER . 58.2 t -65.99 -42.5 91.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.971 0.415 . . . . 0.0 110.051 178.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.547 ' O ' HG23 ' A' ' 16' ' ' VAL . 46.8 mtp180 -62.4 -39.68 94.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.038 176.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -67.53 -39.09 85.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.914 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -56.42 -43.26 79.2 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.436 175.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.487 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -60.76 -53.74 53.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.565 176.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.582 ' HA ' HG22 ' A' ' 51' ' ' VAL . 60.8 t -55.68 -51.21 61.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.157 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 17' ' ' ARG . 26.4 ttt180 -59.66 -53.37 58.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.257 -178.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 30.5 ttp -60.91 -32.39 71.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.162 -173.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.504 ' O ' ' HB2' ' A' ' 23' ' ' GLN . 74.1 t -65.47 -49.54 77.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 121.136 -0.226 . . . . 0.0 110.685 176.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.6 mt -68.65 -41.81 78.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.286 0.565 . . . . 0.0 110.737 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -59.01 -46.17 88.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.466 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.5 m -80.47 -12.16 59.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.59 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.504 ' HB2' ' O ' ' A' ' 19' ' ' VAL . 7.4 tt0 -78.67 -15.76 58.1 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 176.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.1 -24.91 73.39 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.311 -0.947 . . . . 0.0 110.922 167.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -93.31 -47.79 6.74 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -91.75 121.96 33.87 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.576 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -69.54 -31.6 69.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.016 -178.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.4 m -101.12 117.68 35.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.884 0.373 . . . . 0.0 110.494 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -61.55 -38.1 86.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.229 -175.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 41.8 p-90 -62.06 -30.45 70.99 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.688 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.47 -34.29 72.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.097 0.475 . . . . 0.0 110.168 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.8 m -69.21 -43.44 74.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.044 177.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.681 HG23 HD23 ' A' ' 47' ' ' LEU . 76.7 mt -60.7 -45.68 97.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.047 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 83.7 m -65.53 -25.4 67.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.862 -176.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.0 p -92.87 -25.89 17.88 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -177.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.411 ' O ' ' HB2' ' A' ' 39' ' ' LYS . 59.3 mt -89.66 -28.53 5.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.563 -178.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.442 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -52.74 -51.97 68.81 Favored Pre-proline 0 CA--C 1.541 0.616 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.442 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 51.3 Cg_endo -69.14 -8.04 22.52 Favored 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 122.067 1.844 . . . . 0.0 112.881 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 36' ' ' ILE . 72.1 mmtt -84.4 -36.78 22.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.263 0.554 . . . . 0.0 109.946 175.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 65.4 mt -79.34 -39.89 21.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.118 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.26 39.43 5.1 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -177.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 79.1 m -145.95 176.45 9.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.57 -0.315 . . . . 0.0 110.216 -178.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.673 ' HB ' ' HG2' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -74.66 135.99 74.58 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.574 -179.5 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 43' ' ' THR . 36.2 Cg_exo -57.19 -35.69 98.95 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.957 2.438 . . . . 0.0 112.056 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.673 ' HG2' ' HB ' ' A' ' 43' ' ' THR . 14.4 pt-20 -57.37 -42.88 82.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.037 177.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 m -67.68 -36.28 80.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.078 0.466 . . . . 0.0 110.502 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.681 HD23 HG23 ' A' ' 33' ' ' ILE . 52.3 tp -59.34 -44.24 92.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.457 177.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.0 ttt85 -65.64 -34.89 79.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.684 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 45' ' ' GLU . 87.2 t -62.58 -45.16 99.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.817 177.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.5 ' CE3' ' HA ' ' A' ' 47' ' ' LEU . 19.1 m0 -57.27 -47.9 80.25 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.734 0.302 . . . . 0.0 111.059 179.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.582 HG22 ' HA ' ' A' ' 16' ' ' VAL . 57.9 t -60.51 -47.68 91.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.528 179.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 52' ' ' ARG . 46.0 ttt180 -61.45 -48.34 81.58 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.666 -177.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -65.09 -33.87 77.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.738 -178.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.405 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 37.7 t60 -68.88 -27.93 66.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.336 179.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.561 ' HG3' ' O ' ' A' ' 51' ' ' VAL . 50.0 mt-10 -65.49 -36.19 83.14 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 174.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.7 mtp85 -66.81 -34.02 76.89 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.846 175.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 54' ' ' HIS . 8.8 m-20 -58.81 -45.44 89.94 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.969 0.414 . . . . 0.0 110.201 173.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.4 m -66.33 -26.97 67.54 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.028 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.2 -51.84 25.74 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.208 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 83.96 -88.85 1.54 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.119 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -166.03 -167.62 1.1 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 -179.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -102.68 15.51 29.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.835 0.35 . . . . 0.0 110.759 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -84.16 37.2 2.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.793 -177.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.9 76.2 1.06 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.844 -0.694 . . . . 0.0 111.619 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.1 mp -70.07 109.27 4.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.994 0.426 . . . . 0.0 110.463 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.2 t -96.26 3.18 53.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.317 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.1 m -63.89 134.83 55.89 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.871 176.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.451 ' HA ' ' OE1' ' A' ' 71' ' ' GLN . . . -69.84 66.17 0.24 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.283 0.563 . . . . 0.0 111.593 -178.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -107.15 -54.8 2.42 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 177.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.416 ' NE ' ' HA ' ' A' ' 70' ' ' ARG . 4.9 mmp_? -65.72 -21.53 66.53 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.758 177.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.451 ' OE1' ' HA ' ' A' ' 68' ' ' ALA . 2.4 mp0 -66.56 97.17 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.823 176.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -90.05 133.2 34.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.979 0.419 . . . . 0.0 111.241 -176.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.717 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.5 pt? -83.2 156.31 23.26 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 175.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 95.2 mttt 65.0 31.87 10.9 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.147 0.498 . . . . 0.0 110.292 -177.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -79.18 118.58 73.25 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.573 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.03 1.57 8.07 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.898 2.399 . . . . 0.0 112.913 -177.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.46 91.14 7.76 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 78' ' ' ARG . 35.9 ttt180 -81.9 -54.7 5.12 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.262 -179.155 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -157.54 104.38 1.99 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.835 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.736 ' HB2' ' HA ' ' A' ' 84' ' ' ARG . 5.9 p30 -67.22 119.56 12.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.18 0.514 . . . . 0.0 110.328 178.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.421 ' HB3' ' H ' ' A' ' 82' ' ' GLU . 26.2 ttm180 -94.33 -94.56 0.17 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.962 -174.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.421 ' H ' ' HB3' ' A' ' 81' ' ' ARG . 10.2 mm-40 -93.04 -63.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.917 0.389 . . . . 0.0 111.222 -174.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.09 -6.0 42.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.2 -176.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.736 ' HA ' ' HB2' ' A' ' 80' ' ' ASN . 10.6 ttm180 73.42 -33.56 0.27 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.69 0.796 . . . . 0.0 111.159 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -101.87 86.16 2.85 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 165.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.1 m -112.09 -168.26 1.29 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.013 -171.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 49.46 -177.42 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.536 1.134 . . . . 0.0 112.991 -179.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -132.01 171.73 13.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.544 175.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 36.7 mm -79.64 80.08 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 175.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.1 mt -128.33 93.36 3.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.145 -177.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -138.05 27.36 2.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.779 174.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.2 mp -77.17 98.62 5.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.699 -178.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.87 -13.01 60.03 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.487 0.661 . . . . 0.0 110.15 175.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.8 m -155.43 168.69 26.26 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.115 -0.948 . . . . 0.0 108.477 176.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.17 78.44 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.062 0.458 . . . . 0.0 111.339 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -145.5 -168.24 2.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.01 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -97.49 163.91 12.66 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.193 178.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.22 -19.2 61.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.472 -178.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -77.11 89.89 3.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.389 0.614 . . . . 0.0 110.636 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -141.65 151.38 43.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.641 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -115.43 15.92 16.72 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.281 0.562 . . . . 0.0 109.653 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -109.09 22.35 16.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.428 -173.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -45.29 93.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.394 0.616 . . . . 0.0 110.247 177.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 104' ' ' ARG . 19.3 mtp180 -128.73 160.03 33.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.287 178.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 44.0 tp -88.29 -26.31 22.35 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 176.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 35.8 t90 -87.26 87.38 7.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.596 176.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -96.92 -65.94 0.93 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.422 -0.808 . . . . 0.0 108.978 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 57.4 pttt . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.684 -0.674 . . . . 0.0 109.483 171.301 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.843 0.354 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.7 m -88.0 104.02 16.25 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.054 0.454 . . . . 0.0 111.701 -173.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -112.66 -65.54 1.17 Allowed 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 169.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -177.02 116.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.623 173.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.6 m -62.97 122.17 15.35 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.99 99.61 2.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.134 0.492 . . . . 0.0 111.906 -173.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -123.86 143.37 50.39 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 169.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.401 ' HB2' HG23 ' A' ' 11' ' ' VAL . 16.2 m -73.62 118.65 70.79 Favored Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.18 -43.29 43.57 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 123.229 2.619 . . . . 0.0 112.603 -177.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -61.14 -40.01 92.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.401 HG23 ' HB2' ' A' ' 8' ' ' SER . 58.2 t -69.05 -47.03 77.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.508 -178.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -64.56 -43.71 93.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -62.44 -44.14 97.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.265 178.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 14' ' ' ARG . 34.6 ttt180 -60.46 -41.63 94.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.665 179.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.545 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -59.93 -56.79 17.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.899 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.416 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 62.8 t -58.85 -43.18 87.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.606 -179.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.475 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 60.9 ttm-85 -59.02 -49.91 76.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.802 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 40.6 ttp -66.0 -31.53 72.48 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.085 -177.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 15' ' ' ALA . 78.3 t -61.91 -46.98 95.3 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.747 0.308 . . . . 0.0 110.291 175.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 76.5 mt -63.63 -43.22 97.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.254 178.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 17' ' ' ARG . 16.0 mm-40 -56.29 -42.75 78.01 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.168 177.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.475 ' HB2' HG23 ' A' ' 32' ' ' THR . 16.0 m -78.29 -31.44 48.95 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.961 -178.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -63.55 -20.45 65.64 Favored 'General case' 0 C--O 1.226 -0.137 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 177.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.05 -8.87 18.78 Favored Glycine 0 CA--C 1.525 0.684 0 CA-C-N 115.719 -0.673 . . . . 0.0 113.406 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -124.12 -30.77 3.43 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 117.18 0.49 . . . . 0.0 110.608 174.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.456 ' HD2' ' O ' ' A' ' 22' ' ' SER . 59.7 m-85 -73.1 156.39 38.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.952 0.406 . . . . 0.0 110.957 178.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -84.86 -26.05 27.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.198 0.523 . . . . 0.0 110.63 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.549 ' HB2' ' HE3' ' A' ' 30' ' ' TRP . 6.1 p -138.86 143.91 38.99 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.07 -176.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.438 HE22 HG11 ' A' ' 51' ' ' VAL . 51.2 tt0 -59.87 -36.67 77.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.777 177.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.549 ' HE3' ' HB2' ' A' ' 28' ' ' SER . 27.2 m-90 -62.43 -39.9 94.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.127 -177.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.96 -38.33 90.66 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.039 0.447 . . . . 0.0 110.345 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.475 HG23 ' HB2' ' A' ' 22' ' ' SER . 24.0 m -64.1 -48.34 76.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.713 176.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.695 HG23 HD23 ' A' ' 47' ' ' LEU . 80.9 mt -57.1 -43.2 80.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.41 -178.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 63.2 m -66.22 -17.17 64.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.796 -178.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.2 m -98.55 -36.77 9.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.028 0.442 . . . . 0.0 111.071 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.5 mm -80.44 -38.39 17.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.798 -175.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.568 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -55.22 -51.43 79.79 Favored Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -176.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.568 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 16.7 Cg_exo -68.36 -25.96 35.55 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 121.974 1.783 . . . . 0.0 112.116 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -68.38 -44.1 75.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.367 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.6 mt -81.06 -38.13 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.041 0.448 . . . . 0.0 110.724 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.74 53.08 0.93 Allowed Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -177.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.8 p -146.26 153.33 40.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.71 0.291 . . . . 0.0 110.878 -176.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.505 ' HB ' ' OG1' ' A' ' 46' ' ' THR . 43.8 m -64.71 130.41 94.75 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.373 176.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.51 -41.66 71.68 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.831 2.354 . . . . 0.0 112.573 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.543 ' O ' HG23 ' A' ' 49' ' ' VAL . 45.9 mt-10 -67.09 -32.79 74.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.505 ' OG1' ' HB ' ' A' ' 43' ' ' THR . 19.2 m -67.79 -37.35 81.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.144 0.497 . . . . 0.0 110.279 176.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.695 HD23 HG23 ' A' ' 33' ' ' ILE . 46.9 tp -62.17 -38.0 87.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.817 176.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -60.06 -44.4 94.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.137 174.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 45' ' ' GLU . 49.7 t -60.06 -41.63 87.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.64 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 53.0 m0 -62.12 -43.95 97.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.438 HG11 HE22 ' A' ' 29' ' ' GLN . 56.1 t -67.37 -41.29 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.19 177.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.1 ttm-85 -59.66 -49.89 75.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.54 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.31 -47.27 86.03 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -56.57 -40.49 75.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.384 -178.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -84.94 -41.58 15.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.572 -175.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -63.82 -42.68 97.59 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.842 0.353 . . . . 0.0 111.894 -178.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -75.17 -21.0 59.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -175.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 58.1 m -85.44 104.55 15.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.951 0.405 . . . . 0.0 110.286 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.69 161.81 45.85 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.356 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -131.14 -14.97 1.73 Allowed Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.961 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -76.82 0.34 21.08 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.761 0.315 . . . . 0.0 111.034 -178.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -78.45 -8.04 58.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.831 0.348 . . . . 0.0 110.331 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.61 82.1 1.22 Allowed Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.013 177.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -74.9 118.37 5.65 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.1 mp 69.53 118.93 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.437 0.637 . . . . 0.0 111.512 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.77 -22.34 20.22 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.162 0.506 . . . . 0.0 110.052 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.6 t -72.09 -24.55 61.52 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.611 -176.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -101.57 80.37 2.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.153 0.502 . . . . 0.0 110.756 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -94.22 153.36 18.1 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.169 -177.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.3 ttp85 58.0 9.17 0.87 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 114.551 -1.204 . . . . 0.0 111.873 -177.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -81.28 -13.18 58.73 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 173.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -112.9 139.38 48.59 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.313 177.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.72 105.59 8.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.926 0.394 . . . . 0.0 110.765 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 53.0 tttm -102.03 73.94 1.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.21 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 17.7 mm-40 -167.99 129.55 1.2 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.222 177.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 75' ' ' GLU . 24.3 Cg_exo -64.41 -41.1 21.72 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.272 1.982 . . . . 0.0 111.242 173.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -98.79 106.24 18.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.408 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.426 ' HD3' ' HA ' ' A' ' 78' ' ' ARG . 3.1 mmt-85 -136.4 -65.79 0.56 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.107 177.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -139.31 123.75 18.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.273 -177.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -125.64 141.44 52.02 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 176.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -86.8 145.63 26.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.865 0.364 . . . . 0.0 110.231 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -67.33 149.08 50.82 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.686 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 93.5 mt -71.58 -40.79 69.69 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 175.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 87' ' ' ASN . 0.6 OUTLIER -92.31 83.1 4.98 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.709 172.174 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.503 ' C ' ' HD3' ' A' ' 85' ' ' ARG . 3.2 tmt_? -80.4 -67.46 0.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.871 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.9 m -103.64 -22.72 13.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.497 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' A' ' 84' ' ' ARG . 83.1 m-20 -97.51 162.07 13.48 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.331 -177.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -117.74 -21.53 8.42 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 173.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 64.1 mt -94.58 107.24 19.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.006 176.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.8 mt -99.24 -47.38 5.21 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 -100.87 126.62 47.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.124 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.405 ' N ' HD12 ' A' ' 92' ' ' LEU . 7.1 mp -83.46 -32.51 25.99 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 177.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -150.89 158.02 43.62 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.22 177.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.6 m -114.17 34.85 4.44 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.254 0.549 . . . . 0.0 109.641 175.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.73 117.04 22.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.022 -177.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -85.49 112.63 21.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.706 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -63.78 -62.13 1.85 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.986 -174.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 57.23 67.8 0.94 Allowed 'General case' 0 C--O 1.232 0.182 0 O-C-N 123.618 0.574 . . . . 0.0 110.352 -175.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -179.0 -23.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.353 -173.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -103.63 -171.49 1.95 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.682 -171.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -75.31 -26.26 58.52 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.068 -178.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -81.54 -27.94 34.17 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -170.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.409 ' O ' ' HB3' ' A' ' 104' ' ' ARG . 1.0 OUTLIER -77.99 -76.26 0.19 Allowed 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.738 179.28 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.409 ' HB3' ' O ' ' A' ' 103' ' ' ASP . 19.1 ptp180 176.16 -16.27 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.141 0.276 . . . . 0.0 111.422 178.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 45.4 mt -80.6 -1.79 43.65 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -171.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 16.0 t-105 -84.5 90.7 7.69 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 172.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -110.87 -31.39 7.18 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.539 -174.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 49.6 tttm . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.44 -0.791 . . . . 0.0 110.539 -174.36 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 56.5 m 68.3 82.87 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.503 0.668 . . . . 0.0 111.093 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -138.17 -72.13 0.42 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 174.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -167.01 117.97 0.9 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.602 -1.181 . . . . 0.0 109.09 175.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.9 m -73.36 101.26 3.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.276 0.56 . . . . 0.0 111.478 -175.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 58.4 mtp85 -86.64 144.06 27.33 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.019 173.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -62.02 111.98 2.15 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 177.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.2 m -55.52 126.09 62.17 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.393 179.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -49.11 -57.42 2.37 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.253 2.635 . . . . 0.0 112.807 -175.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -61.27 -47.68 84.91 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.263 -177.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 87.3 t -57.41 -47.51 84.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.864 0.364 . . . . 0.0 111.189 -178.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 52.3 ttp180 -61.99 -49.83 74.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.268 0.556 . . . . 0.0 111.374 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -79.62 -27.7 41.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.825 -172.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -74.5 -30.85 61.97 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 175.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.585 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -59.88 -50.64 72.99 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.724 174.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.464 HG13 HG22 ' A' ' 51' ' ' VAL . 54.6 t -61.13 -38.25 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.619 176.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.1 tpp85 -60.4 -42.95 97.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.357 177.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -73.98 -25.0 59.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.41 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 15' ' ' ALA . 79.7 t -60.29 -40.17 83.02 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 171.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.7 mt -68.67 -40.44 80.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.43 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -60.67 -37.1 80.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.928 177.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.9 m -82.39 -17.71 44.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.952 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -66.99 -32.74 74.18 Favored 'General case' 0 CA--C 1.522 -0.118 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 176.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.2 48.96 2.87 Favored Glycine 0 C--N 1.33 0.204 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.361 175.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -165.96 -57.32 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -73.22 149.41 42.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.237 177.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -82.35 -18.02 43.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.429 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.7 p -132.55 127.81 35.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.366 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.472 ' O ' HG12 ' A' ' 33' ' ' ILE . 29.1 tt0 -68.29 -26.78 65.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.608 -178.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 6.9 m-90 -63.28 -35.52 80.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.723 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.11 -39.99 82.64 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.178 0.513 . . . . 0.0 109.967 177.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.6 m -57.91 -46.14 85.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.627 175.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 29' ' ' GLN . 47.6 mm -56.71 -48.21 81.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.663 178.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 59.5 m -71.92 -7.32 47.84 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.947 -176.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.0 m -98.05 -33.24 11.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.014 0.435 . . . . 0.0 110.935 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.534 HD12 HG22 ' A' ' 19' ' ' VAL . 69.1 mt -87.92 -31.68 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.485 -176.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.28 -53.81 59.73 Favored Pre-proline 0 CA--C 1.539 0.552 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -68.39 -18.48 44.03 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.777 1.651 . . . . 0.0 112.324 178.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -71.52 -53.37 14.09 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.3 mt -72.57 -34.82 49.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.27 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.23 50.7 1.69 Allowed Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -178.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.0 p -141.56 172.06 13.2 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.894 0.378 . . . . 0.0 110.594 -178.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.5 m -79.02 128.83 75.04 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.717 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.86 -37.46 95.8 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.131 2.554 . . . . 0.0 112.275 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.596 ' O ' HG23 ' A' ' 49' ' ' VAL . 40.7 mt-10 -57.06 -46.49 82.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.601 177.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.0 m -63.73 -38.1 89.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.962 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.442 ' O ' HG23 ' A' ' 51' ' ' VAL . 44.1 tp -63.76 -40.33 96.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.783 177.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 48' ' ' ARG . 15.5 tpt180 -66.49 -35.49 80.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.342 175.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 45' ' ' GLU . 70.3 t -59.48 -45.35 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.829 177.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 50.0 m0 -61.72 -39.12 90.39 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 120.966 0.412 . . . . 0.0 110.766 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.464 HG22 HG13 ' A' ' 16' ' ' VAL . 57.5 t -67.64 -50.05 64.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.472 177.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.441 ' HA ' ' HB2' ' A' ' 55' ' ' GLU . 40.0 ttm180 -65.4 -32.09 73.54 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.759 0.314 . . . . 0.0 110.95 -178.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -61.1 -41.75 97.24 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.556 ' HA ' ' HB3' ' A' ' 57' ' ' ASP . 40.3 m80 -76.94 -26.02 53.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.049 0.452 . . . . 0.0 110.722 176.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.441 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 19.1 tt0 -61.54 -31.98 72.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.674 176.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.0 ttm-85 -92.44 -32.0 15.07 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.901 173.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.556 ' HB3' ' HA ' ' A' ' 54' ' ' HIS . 31.2 t70 -62.91 -28.51 70.1 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.035 -0.529 . . . . 0.0 112.027 -173.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.4 t -60.96 100.47 0.11 Allowed 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.867 0.842 . . . . 0.0 110.077 175.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 115.14 -110.01 2.21 Favored Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 -172.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 57.13 -103.54 0.3 Allowed Glycine 0 C--N 1.331 0.293 0 C-N-CA 121.496 -0.383 . . . . 0.0 113.676 173.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -126.19 138.72 53.67 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -85.73 86.88 7.35 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.192 0.52 . . . . 0.0 112.252 -171.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.27 10.07 51.34 Favored Glycine 0 CA--C 1.52 0.374 0 CA-C-N 115.411 -0.813 . . . . 0.0 114.407 170.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.53 6.13 83.82 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.357 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.9 tp -120.54 101.24 7.63 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.197 0.522 . . . . 0.0 110.23 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.5 m -120.11 34.28 5.28 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.45 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.7 m 63.75 82.03 0.19 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.214 -176.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -172.08 -61.82 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.595 -175.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -149.31 124.9 10.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.053 0.454 . . . . 0.0 111.453 -178.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -79.39 109.88 14.16 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 170.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -58.53 111.22 1.17 Allowed 'General case' 0 C--N 1.327 -0.381 0 O-C-N 123.519 0.512 . . . . 0.0 111.799 -170.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 37.0 ttm-85 -134.42 99.3 4.33 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.774 177.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.48 HD21 ' HB3' ' A' ' 76' ' ' PRO . 4.8 tt -149.52 97.87 2.69 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.537 174.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -115.73 117.4 30.14 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 176.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 60.63 84.81 0.19 Allowed Pre-proline 0 CA--C 1.533 0.294 0 O-C-N 123.931 0.769 . . . . 0.0 110.462 -175.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.48 ' HB3' HD21 ' A' ' 73' ' ' LEU . 61.3 Cg_endo -72.27 -171.83 0.78 Allowed 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 123.13 2.553 . . . . 0.0 113.252 -176.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' A' ' 77' ' ' GLU . 0.9 OUTLIER -83.64 73.23 10.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.716 0.77 . . . . 0.0 111.21 -177.253 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.6 tpp85 -91.36 79.75 5.58 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 174.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -99.8 -84.45 0.42 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.238 -166.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -96.65 106.81 19.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.982 0.42 . . . . 0.0 111.662 -172.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -103.6 -11.17 17.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.286 175.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -88.1 76.12 8.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.736 -175.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 95.7 mt -82.09 78.71 8.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.871 177.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 84' ' ' ARG . 5.2 ptp85 -162.07 77.05 0.5 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.367 -175.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -85.72 65.98 9.41 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.681 0.753 . . . . 0.0 109.615 -178.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.8 t -153.81 112.18 3.61 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.547 -177.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -86.17 76.24 9.77 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.973 0.416 . . . . 0.0 110.103 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.15 120.83 15.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.889 177.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 35.8 pt -104.5 168.23 2.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.58 -175.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.6 mp -126.07 -179.28 4.63 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.38 -0.827 . . . . 0.0 108.874 174.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -76.89 141.86 40.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.755 0.312 . . . . 0.0 110.717 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.444 ' O ' HD12 ' A' ' 92' ' ' LEU . 3.7 pp -75.4 134.69 40.86 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 175.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 66.9 161.66 0.16 Allowed 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.863 0.727 . . . . 0.0 110.884 -172.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 55.9 m 64.44 87.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.58 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.61 148.28 49.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.905 175.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -80.58 -82.28 0.12 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 67.1 t80 177.92 138.67 0.08 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.32 99.15 3.4 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 174.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -82.98 -15.32 51.68 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.471 -172.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.49 -26.32 68.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.648 177.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.419 ' OE2' ' HA ' ' A' ' 104' ' ' ARG . 9.1 pt-20 -111.76 123.78 50.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.405 179.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -65.1 -30.48 71.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.244 0.545 . . . . 0.0 110.343 177.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -147.05 150.71 35.62 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 177.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.419 ' HA ' ' OE2' ' A' ' 101' ' ' GLU . 45.3 ttt180 -65.25 117.51 7.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.76 0.314 . . . . 0.0 111.273 -173.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.547 ' H ' HD23 ' A' ' 105' ' ' LEU . 2.7 pt? -74.51 142.45 44.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.992 177.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 18.6 m-90 -85.26 106.7 16.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.971 0.415 . . . . 0.0 109.955 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -68.68 -33.18 73.53 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.853 -178.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.541 -0.742 . . . . 0.0 110.417 179.015 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 120.347 0.118 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.4 m 72.94 -48.22 0.68 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 122.836 0.454 . . . . 0.0 111.672 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -75.87 81.34 2.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.01 0.433 . . . . 0.0 110.759 177.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -92.34 -34.3 14.25 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.434 0.635 . . . . 0.0 109.4 176.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.2 t -100.85 162.32 12.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.668 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -152.51 122.2 6.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.618 0.247 . . . . 0.0 110.382 -178.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -85.28 84.33 7.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.387 0.613 . . . . 0.0 110.261 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.5 t -75.99 147.85 80.91 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.634 178.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.58 -21.04 29.4 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.9 2.4 . . . . 0.0 111.729 174.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.563 ' O ' ' HG3' ' A' ' 14' ' ' ARG . 33.1 mt-10 -61.94 -34.15 75.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.535 176.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 63.6 t -65.86 -41.13 89.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.003 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.422 ' O ' HG23 ' A' ' 16' ' ' VAL . 44.8 ttp180 -62.61 -40.77 98.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.04 176.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.422 ' HA ' ' OE1' ' A' ' 13' ' ' GLN . 6.0 tp60 -66.17 -41.89 89.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.534 -179.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.563 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 95.3 mtt180 -57.32 -47.24 82.06 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-O 121.1 0.476 . . . . 0.0 109.8 175.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -55.58 -50.46 70.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.657 -177.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.543 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 69.2 t -56.95 -44.27 82.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.712 -179.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.4 ttp85 -65.04 -43.75 91.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.579 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.491 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 66.8 mtt -61.42 -42.24 98.43 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.569 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.8 t -60.07 -46.37 94.4 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.269 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.524 177.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 84.5 mt -62.44 -48.58 79.06 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.754 0.311 . . . . 0.0 111.173 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -62.07 -44.37 96.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.881 -178.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.554 ' HB2' HG23 ' A' ' 32' ' ' THR . 18.2 m -73.62 -25.01 60.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -64.83 -30.17 71.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.108 0.48 . . . . 0.0 109.988 176.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.06 -8.39 86.88 Favored Glycine 0 CA--C 1.522 0.499 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.224 175.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -99.59 -55.07 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.941 0.4 . . . . 0.0 110.546 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -73.68 163.09 28.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.649 -176.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -87.43 -8.08 56.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.857 176.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.4 t -138.52 132.62 31.48 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.0 -176.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.408 ' O ' ' HB ' ' A' ' 32' ' ' THR . 45.3 tt0 -70.58 -27.85 64.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.586 0.708 . . . . 0.0 109.11 174.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.427 ' CD1' ' N ' ' A' ' 30' ' ' TRP . 5.5 m0 -65.0 -51.17 63.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.29 178.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.0 -29.08 70.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.713 177.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.573 ' O ' HG12 ' A' ' 36' ' ' ILE . 92.5 m -62.34 -54.99 32.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.354 176.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.505 HG23 ' HB2' ' A' ' 47' ' ' LEU . 58.6 mt -56.82 -40.73 73.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 120.99 0.424 . . . . 0.0 110.845 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.5 t -61.06 -28.11 68.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.96 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.425 ' O ' ' HD2' ' A' ' 38' ' ' PRO . 21.0 m -95.39 -17.35 21.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.617 -176.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.573 HG12 ' O ' ' A' ' 32' ' ' THR . 49.5 mm -83.5 -24.11 8.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.24 0.543 . . . . 0.0 110.564 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.587 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -54.48 -53.18 62.59 Favored Pre-proline 0 CA--C 1.54 0.588 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.738 177.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.587 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 2.3 Cg_endo -82.22 8.04 4.74 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.374 2.049 . . . . 0.0 112.222 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 36' ' ' ILE . 27.5 tptp -90.23 -29.2 18.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.211 178.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.1 mt -110.79 -41.38 4.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.418 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.16 35.36 1.03 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.741 -0.743 . . . . 0.0 111.447 -175.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 66.0 m -129.56 174.48 9.62 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.3 p -91.84 157.52 41.34 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.477 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 14.5 Cg_endo -58.07 -24.54 66.48 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.614 2.209 . . . . 0.0 111.954 178.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -64.45 -44.68 90.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.275 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.5 m -61.6 -42.95 99.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.229 -176.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.505 ' HB2' HG23 ' A' ' 33' ' ' ILE . 3.7 mm? -61.11 -42.31 98.3 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.193 -179.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 44' ' ' PRO . 54.6 mtt180 -57.42 -46.83 83.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.77 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.629 HG12 HE21 ' A' ' 53' ' ' GLN . 30.9 t -65.55 -42.25 92.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.625 -179.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 35.6 m0 -61.3 -41.93 97.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.694 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 47' ' ' LEU . 94.9 t -62.69 -45.11 99.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.744 0.307 . . . . 0.0 110.542 178.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.406 ' O ' ' HB3' ' A' ' 55' ' ' GLU . 34.9 ttt180 -66.08 -32.09 73.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.809 -179.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.629 HE21 HG12 ' A' ' 49' ' ' VAL . 76.4 mt-30 -66.56 -35.11 79.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.614 176.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.505 ' O ' ' HB3' ' A' ' 57' ' ' ASP . 46.5 t-80 -73.06 -26.27 61.22 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 176.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.406 ' HB3' ' O ' ' A' ' 52' ' ' ARG . 33.7 tt0 -64.38 -46.92 81.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.811 175.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.41 ' HE ' ' HB3' ' A' ' 56' ' ' ARG . 12.0 mtp180 -69.02 -24.31 64.18 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.586 178.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.505 ' HB3' ' O ' ' A' ' 54' ' ' HIS . 8.4 t70 -51.68 -45.87 63.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.932 0.396 . . . . 0.0 111.422 178.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.0 m -100.51 -34.23 10.01 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.32 -86.64 0.48 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.926 -178.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -82.92 70.01 3.27 Favored Glycine 0 C--O 1.236 0.233 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.642 -177.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -69.28 -36.54 77.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.85 0.357 . . . . 0.0 110.084 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 65.28 67.83 0.51 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.776 177.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -98.62 141.65 15.67 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.55 174.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.94 29.54 8.01 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.615 -177.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -74.61 -51.88 13.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.172 0.51 . . . . 0.0 109.724 177.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.5 m -92.07 94.43 9.23 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 172.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.3 t -104.57 12.24 33.33 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.721 0.772 . . . . 0.0 109.8 -176.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.38 130.71 46.47 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.473 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.468 ' CD ' ' HG2' ' A' ' 72' ' ' ARG . 11.7 tp10 -89.73 123.25 33.57 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.571 -178.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 62.7 ttp85 -151.94 9.7 0.52 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.406 0.622 . . . . 0.0 110.149 177.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -87.13 -51.69 5.85 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.468 ' HG2' ' CD ' ' A' ' 69' ' ' GLU . 11.6 ptt180 -89.88 -28.27 19.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.702 174.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.2 tt -90.64 84.6 5.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.327 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -140.87 151.3 44.2 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.711 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.469 ' HA ' ' HD2' ' A' ' 76' ' ' PRO . 9.4 pt-20 -130.09 109.84 16.76 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 121.165 0.507 . . . . 0.0 111.636 -176.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.469 ' HD2' ' HA ' ' A' ' 75' ' ' GLU . 33.8 Cg_endo -67.51 -44.01 5.07 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.503 2.135 . . . . 0.0 110.6 171.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.472 ' H ' ' HG2' ' A' ' 77' ' ' GLU . 5.6 pt-20 -84.3 104.15 14.09 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.01 -0.995 . . . . 0.0 108.669 172.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -139.88 167.42 22.15 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.886 -166.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -104.76 -6.73 20.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.551 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 20.4 m120 70.29 -163.54 0.16 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.161 176.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -95.0 113.37 25.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.252 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -92.13 96.18 10.18 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.148 0.499 . . . . 0.0 109.869 174.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.569 ' HG ' ' H ' ' A' ' 84' ' ' ARG . 13.1 tp -94.43 -151.83 0.33 Allowed 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 175.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.569 ' H ' ' HG ' ' A' ' 83' ' ' LEU . 29.2 mtm180 -79.97 4.33 17.25 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.094 0.473 . . . . 0.0 110.079 175.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.423 ' HB2' ' H ' ' A' ' 86' ' ' SER . 90.8 mtt180 -85.33 -88.42 0.11 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.402 176.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.423 ' H ' ' HB2' ' A' ' 85' ' ' ARG . 20.8 t 59.79 -178.01 0.09 Allowed 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.673 0.749 . . . . 0.0 112.206 175.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -153.51 6.5 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.94 -1.027 . . . . 0.0 108.317 175.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -106.56 10.06 31.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.601 -170.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 55.7 mt -79.72 98.25 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.126 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -112.11 -174.12 2.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.505 175.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -86.82 143.28 27.55 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 177.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 62.3 mt 70.33 162.65 0.24 Allowed 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.858 0.724 . . . . 0.0 111.792 177.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -111.31 -168.63 1.33 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.511 173.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.9 m 66.35 95.99 0.06 Allowed 'General case' 0 C--O 1.233 0.205 0 O-C-N 123.608 0.567 . . . . 0.0 110.694 -177.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.77 153.89 42.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.801 -178.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -78.86 3.96 15.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.479 -178.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -87.36 88.15 7.61 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.956 0.407 . . . . 0.0 110.198 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.82 23.55 1.69 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.313 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 63.6 mttp 67.12 62.88 0.46 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.51 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -83.44 143.17 30.44 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 168.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.496 ' HG2' ' H ' ' A' ' 102' ' ' PHE . 1.3 pm0 -66.98 -53.76 28.4 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.44 -173.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.496 ' H ' ' HG2' ' A' ' 101' ' ' GLU . 70.7 m-85 62.73 -68.64 0.07 Allowed 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.732 0.645 . . . . 0.0 110.958 -172.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.414 ' HB2' ' HE1' ' A' ' 106' ' ' TRP . 17.7 m-20 68.3 -73.66 0.08 Allowed 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 123.59 0.756 . . . . 0.0 111.295 -178.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.1 mtp-105 -144.19 -179.21 6.37 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -175.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.1 mp -86.18 78.4 9.37 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 170.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.414 ' HE1' ' HB2' ' A' ' 103' ' ' ASP . 17.0 p-90 -137.54 146.12 43.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.54 -173.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.36 153.89 5.51 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 172.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 94.5 mttt . . . . . 0 C--O 1.245 0.842 0 CA-C-O 118.399 -0.81 . . . . 0.0 110.621 -179.01 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.9 mtt . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.445 0.164 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.9 p 48.78 -128.45 1.98 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.549 0.74 . . . . 0.0 112.037 -177.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 89.0 tttt 55.84 76.22 0.29 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.563 0.697 . . . . 0.0 110.981 -174.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -83.44 97.25 8.87 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 173.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.7 p 57.24 -88.95 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.271 0 O-C-N 124.288 0.992 . . . . 0.0 109.858 -166.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.07 -19.77 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.382 0.673 . . . . 0.0 109.23 174.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -83.55 121.51 27.32 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.3 t -82.3 147.28 56.41 Favored Pre-proline 0 C--N 1.319 -0.719 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 172.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.72 -24.14 36.31 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.727 2.285 . . . . 0.0 111.554 175.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -57.63 -52.44 65.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.928 174.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.7 t -62.59 -40.33 87.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.843 -176.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.6 tpp85 -59.03 -50.96 72.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.58 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -67.75 -42.58 81.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.484 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -58.02 -41.99 84.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.113 -178.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.475 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -63.86 -51.86 62.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.137 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.501 HG21 ' HB2' ' A' ' 54' ' ' HIS . 40.1 t -64.84 -42.64 95.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.747 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -56.51 -45.68 80.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.218 175.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 41.8 tpp -58.63 -42.27 87.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.562 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 15' ' ' ALA . 90.1 t -66.75 -55.09 19.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.74 -40.92 97.92 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -173.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.42 -39.73 74.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.575 -178.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.7 m -72.2 -28.78 63.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.045 0.45 . . . . 0.0 109.902 176.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.401 HE21 ' HB3' ' A' ' 23' ' ' GLN . 0.9 OUTLIER -63.44 -29.83 71.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.609 174.013 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.74 -28.48 70.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.075 175.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -74.17 -35.05 63.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.316 0.579 . . . . 0.0 109.665 176.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -99.16 -157.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.844 175.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -134.34 8.13 3.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.528 0.68 . . . . 0.0 109.421 172.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.402 ' OG ' ' HE3' ' A' ' 30' ' ' TRP . 39.4 t -131.36 121.75 25.19 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.067 -174.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.407 ' O ' HG13 ' A' ' 33' ' ' ILE . 66.0 mt-30 -65.26 -46.7 79.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.957 0.408 . . . . 0.0 110.092 172.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.402 ' HE3' ' OG ' ' A' ' 28' ' ' SER . 9.9 m-90 -55.23 -51.98 64.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.812 -173.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.38 94.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.169 0.509 . . . . 0.0 110.89 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.455 ' O ' HG13 ' A' ' 36' ' ' ILE . 26.9 m -67.43 -47.35 70.45 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.29 -178.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.625 HG23 ' HB2' ' A' ' 47' ' ' LEU . 78.2 mt -55.54 -41.57 64.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.5 -178.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.6 m -62.35 -28.48 69.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.865 0.364 . . . . 0.0 111.618 -178.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 t -89.96 -20.07 23.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.912 0.386 . . . . 0.0 110.945 -176.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 32' ' ' THR . 60.2 mt -86.6 -15.52 9.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.903 0.382 . . . . 0.0 111.247 -176.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.546 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -54.17 -56.91 21.15 Favored Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.54 177.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.546 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 73.1 Cg_endo -76.41 -10.09 18.91 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 121.85 1.7 . . . . 0.0 111.886 177.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.4 tttt -79.93 -42.29 24.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.003 -177.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.1 mm -83.6 -45.45 18.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.145 175.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.75 47.36 0.4 Allowed Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.058 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 19.3 p -153.75 -167.87 2.8 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.6 p -94.84 154.67 39.78 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.765 -0.198 . . . . 0.0 110.66 177.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.416 ' HA ' ' HB2' ' A' ' 37' ' ' ALA . 76.6 Cg_exo -51.94 -49.99 15.47 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.505 2.804 . . . . 0.0 114.343 -172.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -61.78 -21.65 64.76 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -175.654 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.7 m -66.13 -36.96 84.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 110.699 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.625 ' HB2' HG23 ' A' ' 33' ' ' ILE . 3.3 mm? -64.81 -44.31 90.31 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.206 178.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 57.7 ttp85 -63.09 -35.94 81.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.379 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 45' ' ' GLU . 92.7 t -63.31 -50.28 79.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.262 175.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 43.3 m0 -61.66 -39.73 92.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.378 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 47' ' ' LEU . 77.7 t -60.13 -44.1 94.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 120.64 0.257 . . . . 0.0 110.484 176.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -64.54 -42.74 95.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.108 177.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 49' ' ' VAL . 94.1 mt-30 -58.73 -46.41 87.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.547 178.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.587 ' HA ' ' HB3' ' A' ' 57' ' ' ASP . 68.7 t60 -72.25 -20.84 61.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.163 -178.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -73.03 -28.46 62.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.18 0.514 . . . . 0.0 109.683 178.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.6 mtp85 -87.21 -25.75 23.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.443 172.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.587 ' HB3' ' HA ' ' A' ' 54' ' ' HIS . 1.8 t70 -58.61 -57.3 13.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.288 174.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.0 m -90.67 11.11 23.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.717 0.77 . . . . 0.0 110.31 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -137.39 -125.54 2.41 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.392 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 112.13 -30.67 7.5 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.389 -0.91 . . . . 0.0 112.729 176.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -67.41 -35.69 79.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.312 0.577 . . . . 0.0 110.062 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -118.44 153.52 33.96 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.471 174.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -116.55 14.99 14.89 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.458 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.94 25.26 4.26 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.098 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.9 mt -113.04 -2.9 14.1 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.027 -0.361 . . . . 0.0 110.027 178.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.8 p 51.65 -119.44 1.45 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.088 -176.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.3 p -142.02 157.14 45.27 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.627 0.251 . . . . 0.0 110.571 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.82 157.16 23.28 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 173.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -74.23 8.18 2.32 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.968 0.413 . . . . 0.0 111.342 -177.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 62.7 mtp85 -108.34 89.75 3.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.74 -178.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -161.82 150.3 15.31 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -176.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 72' ' ' ARG . 14.3 ttp180 -80.97 132.16 35.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.855 0.359 . . . . 0.0 110.126 175.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.723 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.5 pt? -78.77 151.02 32.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.178 178.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -100.06 -67.65 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.131 -177.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -129.65 129.16 23.11 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 120.788 0.328 . . . . 0.0 110.455 177.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -87.55 123.61 1.85 Allowed 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 122.673 2.249 . . . . 0.0 112.336 177.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -87.83 34.82 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.081 0.467 . . . . 0.0 110.35 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 78' ' ' ARG . 34.9 ttp-105 -58.47 -54.98 40.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.229 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -102.53 142.04 34.37 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.862 -175.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.28 128.95 38.32 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 175.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 33.6 mtp180 -100.34 105.66 17.2 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.99 0.424 . . . . 0.0 111.331 -169.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -139.66 125.87 20.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.733 175.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 25.5 tp -128.57 0.71 5.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.93 -178.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.495 ' HA ' ' HD3' ' A' ' 84' ' ' ARG . 8.5 mmt180 -96.23 9.85 39.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.234 0.54 . . . . 0.0 111.265 -176.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 85' ' ' ARG . 9.9 mmt180 -142.33 176.01 9.32 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.234 176.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.9 m -76.26 134.98 39.65 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 174.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -63.86 100.18 0.29 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.934 0.397 . . . . 0.0 110.39 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -84.57 -177.35 6.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.025 -176.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 21.5 pt -136.43 26.29 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.153 175.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.8 mp -106.69 116.85 32.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.717 -173.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.3 mmt85 -115.93 102.26 9.51 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 177.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.3 tt -101.8 -64.0 1.1 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 60.74 92.7 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 O-C-N 123.762 0.664 . . . . 0.0 111.537 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.5 m 67.85 96.76 0.06 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.34 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.1 138.95 30.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.196 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -109.89 -170.23 1.61 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.722 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -88.58 169.85 11.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.203 -177.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -93.24 106.43 18.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.729 174.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -76.2 -38.23 56.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.948 -174.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -147.99 156.98 43.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.998 0.427 . . . . 0.0 111.81 -177.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -154.77 150.23 27.33 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 176.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -65.24 -68.09 0.39 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 111.053 -175.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -88.71 157.64 18.46 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.1 ttp-105 -116.05 92.26 3.84 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.868 0.366 . . . . 0.0 110.669 -175.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 98.1 mt -96.07 4.77 52.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.426 0.631 . . . . 0.0 109.467 175.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -92.39 77.09 5.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.982 -178.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -93.25 86.8 5.43 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 172.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt . . . . . 0 C--O 1.249 1.035 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.74 -169.604 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.9 mtt . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.753 0.311 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.2 t -124.21 -3.25 8.02 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.887 0.375 . . . . 0.0 111.006 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -108.67 149.65 28.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.384 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 66.1 t30 77.06 -0.6 2.92 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 124.062 0.851 . . . . 0.0 110.159 -176.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -76.98 -30.1 55.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.662 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 59.77 -109.73 0.44 Allowed 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 114.877 -1.056 . . . . 0.0 112.213 173.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -138.6 161.97 35.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.16 -175.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.2 t -74.07 135.21 76.97 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.141 177.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.518 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 12.0 Cg_endo -55.98 -39.08 93.4 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 123.165 2.577 . . . . 0.0 112.142 -179.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -61.6 -46.61 89.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.129 0.49 . . . . 0.0 110.689 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.9 t -65.61 -37.34 79.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.228 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -58.24 -51.86 68.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.567 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' ' 9' ' ' PRO . 12.2 mm100 -60.59 -42.06 95.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.526 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.486 ' O ' ' HG2' ' A' ' 18' ' ' MET . 99.3 mtt180 -60.62 -42.13 96.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.216 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.438 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -61.95 -49.86 74.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.305 -179.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -64.66 -36.61 77.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.212 0.529 . . . . 0.0 110.344 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -62.44 -38.73 90.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.026 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.486 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 92.4 mmm -63.13 -42.61 99.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.229 175.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 15' ' ' ALA . 93.3 t -58.84 -48.22 86.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.604 177.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.58 -45.59 89.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.034 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -57.74 -47.67 81.8 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.28 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.4 t -65.56 -41.13 93.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.271 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -65.9 -13.22 59.27 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.818 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.91 -28.35 71.77 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.883 173.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -111.76 -38.43 4.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.013 0.435 . . . . 0.0 109.962 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -80.66 107.79 13.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.554 177.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -76.33 -24.67 54.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.494 -172.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.5 m -97.21 108.38 21.09 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.36 -178.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.411 ' O ' HG13 ' A' ' 33' ' ' ILE . 6.7 tt0 -56.19 -38.08 70.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.454 -177.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -61.19 -37.78 84.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.783 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.2 -39.27 82.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.108 177.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.4 m -63.1 -49.75 73.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.877 177.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.568 HG23 HD23 ' A' ' 47' ' ' LEU . 82.6 mt -56.69 -48.41 80.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.311 -179.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.0 m -65.53 -14.44 61.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.817 -178.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.2 m -97.92 -41.6 7.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.873 0.368 . . . . 0.0 110.912 178.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.8 mm -79.56 -40.54 21.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.988 -174.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.568 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -53.65 -52.23 69.06 Favored Pre-proline 0 CA--C 1.536 0.431 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -176.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.568 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 9.9 Cg_exo -71.86 -24.44 21.14 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 121.991 1.794 . . . . 0.0 112.049 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -72.5 -43.42 63.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.155 -179.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 47.8 mm -74.7 -44.72 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.398 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.34 51.83 0.38 Allowed Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.758 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.7 p -152.67 171.3 18.4 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -178.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.3 p -91.44 151.06 42.31 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.764 -0.198 . . . . 0.0 110.96 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.07 -37.69 86.86 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.026 2.484 . . . . 0.0 112.144 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.542 ' O ' HG23 ' A' ' 49' ' ' VAL . 11.0 tp10 -52.84 -59.32 4.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.488 175.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.3 m -61.64 -42.3 98.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.495 -175.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.568 HD23 HG23 ' A' ' 33' ' ' ILE . 49.3 tp -63.7 -43.86 95.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.801 -179.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.9 ttt85 -66.82 -31.78 72.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.086 -178.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 45' ' ' GLU . 88.1 t -61.66 -44.36 98.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 174.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 38.1 m0 -64.79 -34.68 78.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.052 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.493 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 85.1 t -60.15 -54.78 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 176.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.5 HH21 ' CD ' ' A' ' 55' ' ' GLU . 1.7 mmp_? -58.58 -38.89 78.87 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.603 178.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -62.84 -46.03 89.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.903 178.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -62.79 -37.29 86.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.942 0.401 . . . . 0.0 110.27 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.5 ' CD ' HH21 ' A' ' 52' ' ' ARG . 47.6 mt-10 -67.02 -43.69 82.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.538 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.417 HH12 ' HA2' ' A' ' 60' ' ' GLY . 14.3 tpt180 -70.7 -27.54 64.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.231 0.539 . . . . 0.0 110.311 177.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -67.53 -51.24 53.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.208 177.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.2 m -82.23 -45.46 15.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.705 -175.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.85 134.96 12.51 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.036 -177.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.417 ' HA2' HH12 ' A' ' 56' ' ' ARG . . . -139.53 -160.63 8.42 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.619 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -114.37 124.48 52.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.86 0.362 . . . . 0.0 110.693 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -137.58 118.83 14.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.929 176.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.59 37.22 27.57 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.838 -176.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.26 109.27 2.79 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.698 178.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.554 ' HG ' ' H ' ' A' ' 67' ' ' THR . 39.3 tp -103.92 152.6 21.77 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 -178.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 m -67.8 -25.5 65.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.308 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.554 ' H ' ' HG ' ' A' ' 65' ' ' LEU . 19.3 p 47.15 71.8 0.29 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.516 0.674 . . . . 0.0 111.395 -175.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.48 -22.52 43.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.203 -176.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.648 ' HG2' ' H ' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -89.18 -60.31 1.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 177.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.648 ' H ' ' HG2' ' A' ' 69' ' ' GLU . 0.1 OUTLIER 169.57 -61.54 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 123.949 0.9 . . . . 0.0 109.327 175.555 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.521 ' H ' ' HG3' ' A' ' 70' ' ' ARG . 21.4 mp0 -143.96 -179.38 6.45 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 175.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 69.2 mtt85 -78.83 115.11 18.31 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.248 0.547 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 pp -146.23 -178.19 6.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.416 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt 60.52 32.03 20.39 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 122.726 0.41 . . . . 0.0 111.744 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -125.24 79.27 66.37 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-O 121.033 0.444 . . . . 0.0 109.86 177.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.788 ' HG2' ' HB3' ' A' ' 79' ' ' GLU . 2.9 Cg_endo -87.41 -168.44 0.4 Allowed 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 123.585 2.857 . . . . 0.0 111.847 -179.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -94.1 -62.23 1.38 Allowed 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -117.3 83.26 1.95 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.297 0.57 . . . . 0.0 110.696 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.788 ' HB3' ' HG2' ' A' ' 76' ' ' PRO . 26.7 tt0 -151.86 153.2 33.72 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 176.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.469 HD22 ' N ' ' A' ' 80' ' ' ASN . 0.9 OUTLIER -77.46 87.49 3.82 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.575 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.4 ttt85 -80.67 98.49 7.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.164 0.507 . . . . 0.0 110.271 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -102.01 109.31 21.0 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.589 176.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 31.4 tp -84.01 156.99 22.0 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.34 -178.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -54.05 -51.95 62.44 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 123.224 0.328 . . . . 0.0 111.028 178.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.2 mtm105 65.11 89.49 0.09 Allowed 'General case' 0 C--N 1.332 -0.156 0 O-C-N 123.79 0.681 . . . . 0.0 110.477 -177.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.9 m -86.51 70.51 10.46 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.315 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -106.83 72.43 0.89 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.668 0.747 . . . . 0.0 111.114 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -76.69 81.77 3.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.787 176.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.476 ' H ' HG13 ' A' ' 89' ' ' ILE . 2.5 pp -88.2 0.8 7.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.84 -176.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 87.8 mt -77.61 136.67 38.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.122 0.487 . . . . 0.0 111.098 -177.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.812 ' HG2' ' H ' ' A' ' 92' ' ' LEU . 58.5 ttp85 -96.0 -162.24 0.94 Allowed 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 175.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.812 ' H ' ' HG2' ' A' ' 91' ' ' ARG . 57.2 tp -57.21 112.92 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.655 0.264 . . . . 0.0 110.775 176.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.92 91.65 5.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.106 0.479 . . . . 0.0 110.95 -178.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.7 t -108.2 -159.82 0.7 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.711 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.426 ' O ' ' HG3' ' A' ' 99' ' ' LYS . . . 72.55 -54.79 0.68 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.842 0.857 . . . . 0.0 112.226 178.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.453 ' HA ' ' HE2' ' A' ' 99' ' ' LYS . 24.0 m-85 -67.23 -20.27 65.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.916 0.389 . . . . 0.0 110.928 -176.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -118.52 30.18 7.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.27 176.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -131.01 11.76 5.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.953 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.453 ' HE2' ' HA ' ' A' ' 96' ' ' TYR . 49.7 mtmt -103.96 17.68 23.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.873 -175.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 68.87 96.95 0.06 Allowed 'General case' 0 N--CA 1.466 0.329 0 O-C-N 124.111 0.882 . . . . 0.0 110.899 -177.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -70.15 148.06 49.14 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.706 -176.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -97.3 166.9 11.33 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 174.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -73.31 135.51 44.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.998 0.428 . . . . 0.0 110.242 -178.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 58.8 ttt-85 -141.16 147.28 38.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.123 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.419 ' HG ' ' N ' ' A' ' 106' ' ' TRP . 31.5 tp -116.16 169.85 8.96 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 176.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.658 ' HB3' ' HG2' ' A' ' 108' ' ' LYS . 88.8 m95 -87.53 127.28 35.25 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.763 0.316 . . . . 0.0 110.374 178.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -87.48 21.7 2.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.11 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.658 ' HG2' ' HB3' ' A' ' 106' ' ' TRP . 17.4 ptpt . . . . . 0 C--O 1.248 0.999 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.643 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 mmt . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.6 m -80.03 76.91 6.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.228 0.537 . . . . 0.0 110.825 -179.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -111.16 8.18 21.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.595 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -102.31 151.64 22.01 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.538 178.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.71 142.73 48.19 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.806 0.336 . . . . 0.0 111.494 -177.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.467 ' N ' ' HD3' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -147.0 147.14 30.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.317 178.724 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -105.16 139.16 40.24 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.768 -177.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.8 m -66.32 150.77 96.75 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.521 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.416 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 71.6 Cg_exo -49.26 -50.6 12.51 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.489 2.792 . . . . 0.0 113.617 -177.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -67.67 -30.28 69.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.924 0.392 . . . . 0.0 110.857 -176.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.3 t -69.95 -40.1 78.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -61.19 -40.53 94.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.12 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 9' ' ' PRO . 15.2 mm-40 -63.71 -49.67 72.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.768 178.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -59.17 -40.27 85.1 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.566 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.468 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -55.61 -51.59 66.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.074 178.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 51.8 t -65.81 -42.66 92.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.948 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -59.74 -45.62 91.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.977 -178.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 71.8 mtm -59.51 -44.68 93.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.665 0.269 . . . . 0.0 110.93 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 15' ' ' ALA . 98.7 t -59.88 -44.97 95.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.771 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.9 mt -67.84 -41.82 82.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.287 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -61.59 -51.52 68.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.322 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.4 m -67.29 -27.39 67.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.631 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.761 HE21 ' HB3' ' A' ' 29' ' ' GLN . 34.9 tt0 -60.52 -34.78 74.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.038 0.447 . . . . 0.0 110.141 176.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.04 -22.72 76.19 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.568 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -94.18 -18.8 21.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.945 0.402 . . . . 0.0 110.83 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -109.63 -163.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.668 175.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -111.29 -36.22 5.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.988 0.423 . . . . 0.0 110.644 177.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 t -117.64 140.45 49.63 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.078 -175.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.761 ' HB3' HE21 ' A' ' 23' ' ' GLN . 9.4 pt20 -73.2 -27.77 61.81 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-O 121.076 0.465 . . . . 0.0 109.747 175.003 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 9.4 m-90 -70.92 -23.16 62.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.209 0.528 . . . . 0.0 110.163 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.26 -26.24 52.27 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.797 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.6 p -91.97 -40.53 11.07 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.992 179.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.804 HG23 HD23 ' A' ' 47' ' ' LEU . 70.2 mt -51.81 -47.01 40.48 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.576 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.2 p -67.76 -14.77 63.23 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 -177.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.0 t -98.83 -19.14 17.56 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.154 0.502 . . . . 0.0 110.704 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.7 mt -102.67 -43.63 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.73 -175.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.553 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -54.37 -50.77 83.11 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -176.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.553 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 24.6 Cg_exo -64.32 -25.45 64.23 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 122.042 1.828 . . . . 0.0 112.296 179.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -76.61 -29.57 56.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.195 0.521 . . . . 0.0 110.272 -179.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.6 mt -83.7 -42.67 17.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.348 0.594 . . . . 0.0 109.718 175.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.87 16.59 9.09 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.717 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.5 p -109.4 168.75 9.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.816 0.341 . . . . 0.0 110.571 -178.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.401 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 13.3 p -83.32 143.16 44.47 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.769 178.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 43' ' ' THR . 48.8 Cg_exo -56.44 -37.52 97.03 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.764 2.31 . . . . 0.0 112.367 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.486 ' O ' HG23 ' A' ' 49' ' ' VAL . 48.7 mt-10 -63.16 -53.91 45.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.088 -178.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.2 m -65.25 -33.31 75.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.466 -178.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.804 HD23 HG23 ' A' ' 33' ' ' ILE . 55.1 tp -61.54 -42.52 98.95 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.845 0.355 . . . . 0.0 110.164 176.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -65.16 -37.08 86.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.506 177.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 45' ' ' GLU . 91.8 t -59.3 -41.03 82.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.756 178.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 32.1 m0 -60.7 -44.15 96.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.794 177.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.47 -46.39 96.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.135 176.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -60.64 -42.57 97.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.845 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 14.5 mm100 -66.73 -25.68 66.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.772 179.4 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -78.9 -30.88 45.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.71 174.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -68.54 -41.5 79.75 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 175.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.7 ttt85 -66.97 -37.87 85.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.078 0.466 . . . . 0.0 110.268 174.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -58.17 -50.96 71.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.616 176.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.8 m -71.06 -33.18 70.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.649 -179.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.49 -84.71 0.63 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.288 176.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.97 103.43 1.72 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.356 178.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -71.15 -77.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 176.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 59.2 21.14 9.22 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.068 177.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 107.1 -139.53 14.96 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.542 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 150.99 136.33 2.49 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 121.199 -0.524 . . . . 0.0 111.851 -177.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 94.4 mt -95.89 156.65 16.24 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.2 t -88.32 -3.98 58.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.137 0.494 . . . . 0.0 110.815 -178.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.95 90.11 2.97 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.932 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.92 147.71 48.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.518 173.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 54.0 mp0 -57.06 -48.88 77.49 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.446 0.466 . . . . 0.0 110.509 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 70' ' ' ARG . 30.5 ttm-85 67.94 5.06 4.32 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.733 0.646 . . . . 0.0 110.991 177.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -77.96 101.51 6.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.084 0.469 . . . . 0.0 110.244 -178.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -89.29 114.2 25.55 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.36 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 26.1 tp -82.08 42.66 0.74 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.686 -170.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -145.82 92.1 2.17 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 173.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 58.03 75.52 0.53 Allowed Pre-proline 0 C--N 1.329 -0.286 0 O-C-N 123.58 0.55 . . . . 0.0 110.734 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -63.6 138.72 66.14 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.703 2.269 . . . . 0.0 112.245 -176.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -75.35 86.49 2.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.478 0.656 . . . . 0.0 110.904 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -105.05 -4.03 22.45 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.556 177.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -66.9 113.7 5.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.408 -170.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -132.02 25.75 4.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.47 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 54.3 mtt85 -58.63 -57.06 14.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.585 178.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -79.98 -27.95 39.6 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.165 0.507 . . . . 0.0 110.406 -178.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.1 tt -84.98 75.39 10.39 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.383 0.611 . . . . 0.0 109.78 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 64.7 mtt85 -125.54 149.58 48.2 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.421 176.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.416 ' H ' ' HG2' ' A' ' 85' ' ' ARG . 3.4 ptp85 -81.78 66.27 7.27 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.525 0.678 . . . . 0.0 110.913 178.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.0 t -102.8 120.35 40.45 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -86.02 -25.05 26.17 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.042 0.449 . . . . 0.0 110.159 -176.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -76.95 87.05 3.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.89 176.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 14.5 tt 178.7 140.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.66 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.1 mp -122.25 98.72 6.06 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 176.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -82.25 145.8 29.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.083 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 43.9 tp -76.96 87.7 3.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.366 0.603 . . . . 0.0 110.495 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -109.89 123.54 49.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.069 178.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.2 t -154.29 93.26 1.59 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.993 0.425 . . . . 0.0 110.145 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.78 114.22 23.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -96.96 106.85 19.26 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.829 178.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -83.75 101.46 11.59 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.341 0.591 . . . . 0.0 109.625 174.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.99 -32.06 63.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.631 -174.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -122.71 157.23 32.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.023 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -97.66 -53.11 3.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.741 176.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -173.61 178.66 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.754 178.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -111.23 154.36 24.54 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 -178.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -109.73 -164.78 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 64.2 ttp85 -112.29 121.23 44.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.955 0.407 . . . . 0.0 110.389 178.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 92.8 mt -104.39 110.28 22.46 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.129 177.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 74.1 t-105 -78.33 -40.68 35.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.56 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 16.6 tptm -132.09 117.96 19.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.375 178.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 46.6 mttp . . . . . 0 C--O 1.245 0.83 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 173.733 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 120.817 0.341 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.8 m -64.43 -38.62 91.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.089 0.471 . . . . 0.0 110.502 177.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -122.25 -26.68 4.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.781 -178.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -98.64 126.76 44.34 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.084 0.468 . . . . 0.0 111.969 -175.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.2 p 52.47 82.9 0.06 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 114.872 -1.058 . . . . 0.0 113.143 178.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.2 ptt85 -109.75 104.18 13.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.182 174.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -120.2 100.32 7.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.705 -179.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.525 ' HB2' HG23 ' A' ' 11' ' ' VAL . 15.7 m -88.59 136.9 30.69 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.439 178.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -53.31 -36.08 76.99 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.914 2.409 . . . . 0.0 112.424 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.99 -33.01 70.21 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.041 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.525 HG23 ' HB2' ' A' ' 8' ' ' SER . 72.0 t -67.25 -48.98 76.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.348 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 49.6 mtm180 -64.19 -40.13 95.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.1 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -53.95 -57.97 9.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.463 176.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -63.38 -33.55 75.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.18 -177.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.583 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -59.5 -60.85 3.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.818 177.183 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.508 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 61.8 t -63.87 -39.98 87.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.639 -178.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.517 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 40.6 ttt-85 -55.45 -52.01 65.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.377 177.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 34.2 ttp -60.72 -36.93 80.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 15' ' ' ALA . 98.8 t -60.76 -49.81 83.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.641 0.258 . . . . 0.0 110.383 176.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 78.3 mt -61.75 -48.12 82.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.292 -177.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 17' ' ' ARG . 39.5 mt-10 -73.82 -14.34 61.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.711 -174.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.2 m -92.69 -27.69 17.11 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 172.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -67.17 -26.96 66.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.513 178.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.42 -13.09 59.98 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.478 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -111.69 -48.89 3.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.851 0.358 . . . . 0.0 110.643 178.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -65.34 155.19 36.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.568 0.699 . . . . 0.0 112.667 -174.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -76.5 -35.14 58.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.332 -177.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.6 t -125.11 143.11 51.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.191 -175.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -74.13 -23.56 59.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.49 176.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 64.4 t90 -72.35 -36.76 68.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.545 174.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.95 -38.44 91.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.01 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.8 p -69.3 -50.02 50.61 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.786 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.5 mt -56.85 -46.11 83.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.8 0.333 . . . . 0.0 110.929 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.9 t -65.17 -23.77 67.2 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.428 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.0 m -92.68 -22.26 19.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.807 0.337 . . . . 0.0 111.24 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.2 mt -93.35 -27.03 4.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.011 0.434 . . . . 0.0 111.027 -177.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.42 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -50.4 -53.71 42.28 Favored Pre-proline 0 CA--C 1.541 0.602 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.343 177.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.42 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 74.4 Cg_endo -73.57 -0.74 9.72 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.139 1.893 . . . . 0.0 113.229 -179.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -86.9 -28.44 22.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.176 0.513 . . . . 0.0 109.98 177.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.9 mt -106.21 -41.37 6.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.477 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.25 19.85 8.21 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 -176.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.3 p -105.64 147.8 28.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.684 0.278 . . . . 0.0 110.987 -177.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.513 ' HB ' ' OG1' ' A' ' 46' ' ' THR . 36.8 m -69.96 138.67 87.67 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.059 177.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -49.09 -40.42 41.57 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.991 2.46 . . . . 0.0 113.19 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.502 ' O ' HG23 ' A' ' 49' ' ' VAL . 6.6 mm-40 -68.27 -32.55 72.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.923 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.513 ' OG1' ' HB ' ' A' ' 43' ' ' THR . 2.1 m -69.79 -41.99 74.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.216 0.531 . . . . 0.0 109.785 177.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.583 HD11 HG21 ' A' ' 19' ' ' VAL . 1.1 tm? -59.08 -43.15 91.79 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.509 -0.769 . . . . 0.0 108.931 175.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -55.74 -38.13 69.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.067 178.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 45' ' ' GLU . 84.3 t -64.52 -45.89 94.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.978 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.467 ' HE3' HD22 ' A' ' 47' ' ' LEU . 17.0 m0 -63.77 -33.36 75.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.943 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.556 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 84.8 t -62.49 -45.93 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.117 175.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -60.94 -42.99 99.28 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.84 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -60.74 -37.7 82.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.785 0.326 . . . . 0.0 110.145 179.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.466 ' O ' ' HB3' ' A' ' 57' ' ' ASP . 57.9 t-80 -67.22 -48.21 68.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.006 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 51' ' ' VAL . 5.5 mm-40 -68.41 -43.27 77.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.6 -177.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -69.91 -19.0 63.41 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.42 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.466 ' HB3' ' O ' ' A' ' 54' ' ' HIS . 5.6 t70 -65.81 -37.3 85.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.706 176.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.3 m -99.16 -35.96 9.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.284 -176.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -133.52 65.36 0.59 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.281 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.449 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -106.66 -22.83 7.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.265 -179.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -92.32 -51.68 5.04 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 175.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -135.53 141.64 45.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.68 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 144.04 -72.52 0.36 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.02 -0.61 . . . . 0.0 111.812 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.92 -159.11 28.49 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.35 177.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.2 tp -85.32 65.47 9.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.389 0.614 . . . . 0.0 109.73 177.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.449 HG21 ' HA2' ' A' ' 60' ' ' GLY . 11.1 p -97.25 -1.69 44.28 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.624 -179.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.4 p -83.39 136.02 34.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.607 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -84.17 -72.84 0.45 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 52.23 86.26 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 O-C-N 123.859 0.724 . . . . 0.0 112.599 175.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.9 ttt-85 57.09 90.67 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.214 175.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -161.91 137.58 7.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 122.147 -0.346 . . . . 0.0 111.081 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -78.69 141.28 38.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.603 174.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.0 mt -109.93 151.85 26.57 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.93 0.395 . . . . 0.0 110.774 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -78.33 4.71 12.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.803 176.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 60.0 84.58 0.2 Allowed Pre-proline 0 CA--C 1.529 0.156 0 O-C-N 123.838 0.711 . . . . 0.0 109.763 -175.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -60.02 -38.07 80.52 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.721 2.948 . . . . 0.0 114.4 -167.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -90.28 90.86 8.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.544 0.688 . . . . 0.0 110.918 -176.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -100.88 154.02 19.01 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.432 175.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -84.48 140.32 31.56 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -67.36 135.36 53.12 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.385 0.612 . . . . 0.0 110.358 -177.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -95.16 112.11 23.86 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.428 -174.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -96.01 13.56 26.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.713 -178.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 97.6 mt -74.57 90.48 2.25 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 175.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -94.94 142.61 27.27 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.114 -173.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -158.81 -63.53 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.302 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.8 t -132.26 82.62 2.03 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 175.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -104.79 12.05 33.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.775 -177.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -82.13 36.26 0.46 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.268 -176.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 70.8 mt 68.36 104.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.909 -178.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.42 104.75 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.156 178.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -125.66 168.68 13.4 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.417 -177.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 62.0 tp -52.12 129.4 27.48 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.118 0.261 . . . . 0.0 110.995 177.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 76.62 -4.98 2.26 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 124.019 0.824 . . . . 0.0 111.924 178.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.0 t -112.13 -27.92 8.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.736 0.303 . . . . 0.0 110.346 177.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.75 106.75 8.6 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.569 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 74.14 111.41 0.07 Allowed 'General case' 0 N--CA 1.466 0.365 0 O-C-N 124.133 0.895 . . . . 0.0 111.948 178.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -88.87 164.38 15.21 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.369 175.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -114.59 146.06 41.24 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.564 0.221 . . . . 0.0 110.703 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -81.9 91.12 6.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.99 0.424 . . . . 0.0 110.849 178.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.23 -30.49 38.56 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 173.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 63.31 20.12 12.08 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.847 177.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -75.81 -37.47 59.08 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 176.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -106.77 121.07 43.65 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.217 175.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -114.47 116.68 29.23 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.931 0.396 . . . . 0.0 111.055 -175.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.415 ' N ' HD12 ' A' ' 105' ' ' LEU . 6.5 mp -80.92 -78.59 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 176.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -143.16 -176.09 4.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.833 177.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -99.12 -3.5 34.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.526 0.679 . . . . 0.0 110.638 -177.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 44.7 tttm . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.626 -0.702 . . . . 0.0 110.226 178.491 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.6 mtt . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 120.666 0.27 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.1 m -70.97 83.45 0.67 Allowed 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 173.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -152.59 -58.87 0.14 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.27 -174.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -101.47 99.06 9.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.843 176.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.5 m -115.34 113.59 24.02 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.875 177.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -126.75 -171.82 2.49 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.4 -174.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -84.79 138.76 32.4 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.0 m -57.63 130.96 82.05 Favored Pre-proline 0 C--N 1.323 -0.566 0 O-C-N 123.415 0.447 . . . . 0.0 111.014 -177.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.62 -23.61 26.33 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.251 2.634 . . . . 0.0 112.594 178.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -55.58 -41.19 73.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.467 177.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.2 t -67.08 -43.26 88.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.562 -179.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -65.2 -36.05 82.97 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.876 ' HA ' HE21 ' A' ' 13' ' ' GLN . 0.0 OUTLIER -66.3 -46.71 76.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.32 176.791 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -57.97 -53.52 57.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.395 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.483 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -58.93 -59.67 5.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.564 -0.743 . . . . 0.0 112.163 -174.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.4 t -58.46 -41.14 80.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.448 -175.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.4 ttp85 -62.34 -45.08 94.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.697 -178.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.549 ' HG2' HD12 ' A' ' 36' ' ' ILE . 50.5 ttm -68.89 -31.7 70.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.877 -178.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 15' ' ' ALA . 77.7 t -65.22 -52.71 49.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.415 175.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.1 mt -58.28 -41.92 85.41 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.943 0.401 . . . . 0.0 110.675 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -56.24 -48.24 76.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.832 178.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.464 ' HB2' HG23 ' A' ' 32' ' ' THR . 16.1 m -77.23 -24.8 51.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -178.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -68.1 -19.72 64.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.308 0.575 . . . . 0.0 109.975 175.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.98 -1.77 69.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.789 173.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -117.92 -53.96 2.35 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 178.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -77.25 144.17 38.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.557 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -89.8 -14.63 34.07 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.426 0.631 . . . . 0.0 109.625 176.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.0 t -103.64 129.02 50.87 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.643 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.448 ' NE2' HG11 ' A' ' 51' ' ' VAL . 59.8 tp60 -67.22 -39.86 86.31 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.62 176.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 18.9 m-90 -68.81 -40.9 79.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.963 -176.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.56 -30.62 68.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.94 0.4 . . . . 0.0 110.669 176.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.464 HG23 ' HB2' ' A' ' 22' ' ' SER . 27.4 m -76.75 -44.17 34.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.616 178.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.462 HG23 HD23 ' A' ' 47' ' ' LEU . 83.9 mt -61.42 -48.18 90.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.003 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 80.5 m -69.43 -13.44 62.36 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -175.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.9 p -98.73 -38.82 8.93 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.438 179.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.549 HD12 ' HG2' ' A' ' 18' ' ' MET . 50.0 mm -79.64 -38.2 19.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.881 -175.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.51 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -54.63 -54.78 45.11 Favored Pre-proline 0 CA--C 1.539 0.541 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -176.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.51 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 71.8 Cg_endo -75.71 -9.9 19.92 Favored 'Trans proline' 0 C--N 1.357 0.974 0 C-N-CA 122.103 1.869 . . . . 0.0 112.261 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -81.22 -40.71 23.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.429 0.633 . . . . 0.0 109.938 177.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.424 ' CD1' ' HA ' ' A' ' 15' ' ' ALA . 66.0 mt -83.01 -42.85 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.444 177.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.6 47.27 0.58 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.081 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 62.2 m -139.08 160.9 38.69 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.6 p -78.24 141.35 61.98 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-O 120.64 0.257 . . . . 0.0 110.963 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.53 -37.12 90.28 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 123.262 2.642 . . . . 0.0 112.928 -177.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.527 ' O ' HG23 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -71.55 -32.61 68.32 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.396 -178.15 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 97.1 m -71.41 -40.0 70.76 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.462 HD23 HG23 ' A' ' 33' ' ' ILE . 41.4 tp -62.86 -40.19 96.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.192 177.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -56.28 -44.44 79.79 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.733 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 45' ' ' GLU . 81.2 t -59.3 -45.48 93.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 37.3 m0 -62.59 -39.09 92.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.262 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.448 HG11 ' NE2' ' A' ' 29' ' ' GLN . 94.2 t -64.73 -47.93 86.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.765 178.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -61.13 -39.71 91.08 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.018 177.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -63.33 -51.42 66.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.062 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -61.41 -35.8 78.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.766 0.317 . . . . 0.0 111.041 -178.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -65.23 -30.38 71.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.147 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.455 HH11 ' HD2' ' A' ' 56' ' ' ARG . 23.6 ttt85 -83.13 -36.48 24.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.385 177.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -59.71 -64.69 0.86 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.344 0.592 . . . . 0.0 110.318 175.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.9 m -96.14 78.45 3.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.657 -177.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -106.59 -150.51 17.72 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.826 178.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.91 49.91 4.04 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.772 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -102.66 -165.12 1.15 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -100.0 20.54 14.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.05 0.452 . . . . 0.0 109.962 174.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.681 ' HA2' ' HA ' ' A' ' 69' ' ' GLU . . . -77.95 109.71 2.88 Favored Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.849 -176.081 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.92 -54.75 2.23 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.779 173.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.29 -38.58 84.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.971 0.415 . . . . 0.0 111.101 -176.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.401 ' C ' ' H ' ' A' ' 68' ' ' ALA . 3.2 m -85.18 49.58 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.236 0.541 . . . . 0.0 110.732 -178.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.3 p 63.16 -8.47 0.13 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.006 1.322 . . . . 0.0 113.388 177.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.401 ' H ' ' C ' ' A' ' 66' ' ' THR . . . -166.98 157.64 11.76 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.681 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 33.7 tt0 -101.44 -61.27 1.4 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 175.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.407 ' HG2' ' HG2' ' A' ' 69' ' ' GLU . 26.5 mmm180 -136.98 158.01 45.42 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 175.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -55.94 124.19 16.84 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.867 0.365 . . . . 0.0 110.613 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 72' ' ' ARG . 4.3 ptp180 -79.64 57.06 2.37 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.195 -176.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 44.4 tp -76.26 79.24 3.04 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.337 0.589 . . . . 0.0 110.708 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.435 ' O ' ' HD3' ' A' ' 76' ' ' PRO . 41.5 mtmt -122.87 15.41 10.06 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.158 176.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 36.0 mt-10 -83.19 102.43 1.82 Allowed Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 74' ' ' LYS . 79.8 Cg_endo -94.66 27.6 0.29 Allowed 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.213 2.609 . . . . 0.0 113.568 -168.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -111.95 106.84 15.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.044 0.45 . . . . 0.0 110.0 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -141.93 -37.15 0.41 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.722 -174.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -162.78 115.3 1.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.776 -175.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -111.97 -77.06 0.59 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.927 0.394 . . . . 0.0 110.363 175.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 72.6 mtt85 -145.5 127.54 15.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.306 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -137.2 -170.21 2.67 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 173.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 95.5 mt 66.06 24.8 10.95 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -172.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' A' ' 84' ' ' ARG . 48.2 mtm180 68.14 131.33 0.03 OUTLIER 'General case' 0 C--O 1.231 0.125 0 CA-C-N 114.381 -1.281 . . . . 0.0 111.846 -177.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.4 ' HG2' ' H ' ' A' ' 85' ' ' ARG . 12.9 ptm180 -82.94 149.1 27.24 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.749 -177.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.7 t -86.02 -174.66 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -142.18 143.03 32.76 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.126 0.489 . . . . 0.0 110.871 -178.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -129.81 136.9 50.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.581 177.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.4 mp -126.14 115.74 43.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.77 -174.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.3 tt -91.06 111.23 22.6 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 175.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -91.26 121.15 32.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.07 0.462 . . . . 0.0 110.723 -177.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.426 ' O ' HD23 ' A' ' 92' ' ' LEU . 7.5 tt -83.89 -33.55 24.75 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.04 84.24 1.78 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.249 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.502 ' HB2' ' HB3' ' A' ' 97' ' ' PHE . 25.2 p -119.56 97.57 5.71 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.645 174.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.02 121.22 14.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.81 -174.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 18.8 t80 62.77 19.88 11.75 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.124 175.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.502 ' HB3' ' HB2' ' A' ' 94' ' ' SER . 59.6 t80 -98.93 81.73 2.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.282 0.563 . . . . 0.0 110.784 -177.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -154.72 72.36 0.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.485 173.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 64.2 mttp 68.91 6.68 5.74 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.844 -175.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.44 ' O ' ' HB3' ' A' ' 101' ' ' GLU . . . 67.05 -65.57 0.21 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.078 0.951 . . . . 0.0 111.811 -179.115 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.494 ' HG2' ' CD2' ' A' ' 102' ' ' PHE . 44.0 tt0 74.39 110.65 0.07 Allowed 'General case' 0 C--O 1.235 0.296 0 O-C-N 123.791 0.682 . . . . 0.0 110.496 -175.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.494 ' CD2' ' HG2' ' A' ' 101' ' ' GLU . 41.6 m-85 76.65 155.23 0.16 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.618 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 25.3 t0 77.24 157.85 0.19 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.024 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -148.05 170.54 17.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.571 -176.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 73.2 mt -108.12 32.1 5.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.124 0.487 . . . . 0.0 110.313 -177.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 30.6 t-105 -94.51 5.21 52.51 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.589 -176.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 63.4 tttp 69.44 111.46 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 123.399 0.68 . . . . 0.0 110.916 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.153 -178.633 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.483 1.184 0 CA-C-O 120.733 0.301 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.5 t -167.12 132.75 2.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.82 174.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -150.82 113.17 4.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.228 0.537 . . . . 0.0 110.761 -178.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -79.07 117.78 20.44 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.987 176.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.7 t -114.16 156.94 23.33 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.98 0.419 . . . . 0.0 110.904 -177.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.445 ' HG2' ' CD2' ' A' ' 7' ' ' PHE . 24.4 ttp180 -116.18 -78.14 0.58 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 177.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.445 ' CD2' ' HG2' ' A' ' 6' ' ' ARG . 76.5 m-85 -145.78 96.01 2.74 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 176.03 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 p -65.73 137.11 96.12 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.651 -179.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -57.2 -24.45 59.16 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.138 2.559 . . . . 0.0 112.453 -178.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -57.07 -43.73 82.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.433 177.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.1 t -63.19 -43.26 98.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.15 -177.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.484 ' O ' HG23 ' A' ' 16' ' ' VAL . 54.7 mtm180 -58.1 -56.01 27.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.739 -178.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -65.72 -36.74 84.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.042 -176.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -59.83 -47.72 84.57 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.358 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.528 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -66.79 -49.58 65.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.261 -179.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 12' ' ' ARG . 97.5 t -58.05 -47.61 86.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.253 -178.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -64.09 -35.32 80.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.896 0.379 . . . . 0.0 110.608 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 46.4 ttm -66.33 -39.87 89.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.911 177.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 15' ' ' ALA . 84.3 t -62.28 -47.09 94.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.367 175.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 92.4 mt -59.53 -49.29 78.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.333 -178.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -58.66 -39.41 80.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.892 0.377 . . . . 0.0 111.025 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.488 ' HB2' HG23 ' A' ' 32' ' ' THR . 16.7 m -80.26 -21.58 42.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.179 -178.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -74.39 -20.86 59.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.297 0.57 . . . . 0.0 109.584 175.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.68 -13.55 75.29 Favored Glycine 0 N--CA 1.449 -0.459 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 172.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -89.31 -58.0 2.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.282 0.563 . . . . 0.0 110.353 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -100.01 -175.45 2.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.929 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -118.89 0.91 11.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.453 0.644 . . . . 0.0 109.434 173.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.7 t -112.69 115.4 28.5 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.951 -176.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -67.65 -28.31 67.6 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 173.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -61.0 -51.3 69.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.461 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.44 -37.68 88.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.717 178.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.488 HG23 ' HB2' ' A' ' 22' ' ' SER . 90.7 m -61.43 -57.38 12.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.95 178.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 98.2 mt -62.41 -37.65 79.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.228 -177.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.0 t -63.11 -22.48 66.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.228 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.9 m -90.84 -23.94 20.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.931 0.396 . . . . 0.0 110.939 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.1 mt -89.68 -34.14 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.21 -176.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.572 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -53.38 -51.86 71.79 Favored Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -178.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.572 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 6.4 Cg_exo -75.82 -10.42 19.9 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.339 2.026 . . . . 0.0 112.462 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -80.7 -39.46 27.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.103 0.478 . . . . 0.0 110.152 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.6 mt -89.0 -46.31 15.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.059 177.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.42 48.87 0.95 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.549 -177.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.7 p -144.12 167.02 23.38 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 -178.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.43 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 1.3 p -70.0 138.5 87.53 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.363 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 43' ' ' THR . 68.2 Cg_exo -51.85 -43.21 53.26 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.509 2.806 . . . . 0.0 113.954 -176.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.431 ' O ' HG23 ' A' ' 49' ' ' VAL . 42.8 mt-10 -62.18 -27.13 68.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.631 0.253 . . . . 0.0 111.259 -176.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.4 m -64.1 -36.0 82.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.299 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.488 ' O ' HG23 ' A' ' 51' ' ' VAL . 3.4 mm? -61.25 -46.67 89.43 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.431 178.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -61.08 -33.9 74.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.679 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.453 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 86.7 t -60.4 -51.97 66.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.958 178.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 29.3 m0 -62.93 -39.8 95.67 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.783 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 47' ' ' LEU . 89.9 t -65.04 -42.19 93.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.359 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -62.92 -34.08 76.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.327 -179.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 49' ' ' VAL . 97.7 mt-30 -60.38 -46.34 90.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.128 174.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -66.0 -45.16 82.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.159 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -71.7 -22.43 61.64 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.728 -176.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.589 ' O ' ' HB2' ' A' ' 61' ' ' ASP . 43.1 ttp180 -81.07 -45.9 15.79 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 175.309 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -63.47 -46.07 87.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.88 178.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.3 m -116.59 88.21 2.85 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.543 177.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.53 32.6 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.558 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.27 -96.44 0.65 Allowed Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.645 -0.788 . . . . 0.0 113.014 176.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.589 ' HB2' ' O ' ' A' ' 56' ' ' ARG . 22.8 t70 74.95 -28.21 0.19 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.741 0.816 . . . . 0.0 111.463 -177.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -61.96 103.68 0.38 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.29 0.567 . . . . 0.0 111.106 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -165.93 -127.19 0.88 Allowed Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.743 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -177.66 -165.71 33.14 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.66 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.1 tt -76.03 -28.18 57.62 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 25.5 p -81.3 91.94 6.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.964 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.2 p -79.51 121.94 25.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.567 177.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -86.97 4.29 42.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.79 -177.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -65.72 -9.57 29.09 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.858 -177.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -108.06 -40.11 5.31 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.596 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -80.34 -26.3 38.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.058 0.456 . . . . 0.0 110.792 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -104.4 105.21 15.25 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 174.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.04 -53.41 31.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.182 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.407 ' HB3' ' HE2' ' A' ' 74' ' ' LYS . 35.1 ttpt 59.18 91.58 0.04 OUTLIER 'General case' 0 C--O 1.233 0.227 0 O-C-N 123.938 0.774 . . . . 0.0 110.147 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 65.18 87.88 0.12 Allowed Pre-proline 0 C--O 1.233 0.221 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.603 -170.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -61.29 111.44 1.12 Allowed 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 123.296 2.664 . . . . 0.0 113.303 -174.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -94.43 -21.72 18.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.559 176.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -139.13 144.76 38.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.791 -172.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -98.08 -179.13 4.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 173.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -80.06 74.22 6.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.411 0.624 . . . . 0.0 109.589 175.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -97.32 -7.49 31.9 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.248 -176.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -82.17 21.86 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.085 0.469 . . . . 0.0 111.029 -179.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.0 tp -106.8 24.52 12.58 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 177.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -88.41 103.31 15.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.959 -1.018 . . . . 0.0 112.75 -170.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.92 165.59 15.0 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 167.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.0 m -70.42 -21.79 62.79 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.826 0.346 . . . . 0.0 110.671 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -98.36 1.7 47.23 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.362 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -101.86 125.87 48.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.939 0.4 . . . . 0.0 110.002 175.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 25.7 pt -110.5 179.35 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 -177.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.9 mp 63.64 78.88 0.27 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.428 0.632 . . . . 0.0 110.841 -177.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 92' ' ' LEU . 79.1 mtm-85 -84.03 117.54 23.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.316 176.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 91' ' ' ARG . 87.4 mt 72.97 -76.98 0.06 Allowed 'General case' 0 N--CA 1.465 0.294 0 O-C-N 124.079 0.862 . . . . 0.0 110.568 -174.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -170.47 -71.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.901 0.381 . . . . 0.0 111.001 178.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.7 p -166.03 -40.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.826 -176.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 70.46 5.46 5.38 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.867 178.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.744 ' HE2' ' HA ' ' A' ' 99' ' ' LYS . 8.3 t80 -174.38 137.2 0.5 Allowed 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -179.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -72.74 -69.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.716 0.293 . . . . 0.0 111.401 -177.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.11 133.36 21.65 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.744 ' HA ' ' HE2' ' A' ' 96' ' ' TYR . 88.7 tttt -83.85 85.87 7.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.184 0.516 . . . . 0.0 110.03 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -165.12 157.6 15.83 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.393 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -95.12 78.75 3.53 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.212 0.529 . . . . 0.0 109.91 176.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -92.01 -31.63 15.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.645 -178.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -75.33 91.46 2.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.374 0.607 . . . . 0.0 109.929 177.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -146.11 8.39 1.08 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.956 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.07 95.44 5.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.834 -176.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 90.4 t90 -81.11 130.05 34.84 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.201 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 51.8 tptt -157.76 102.98 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.523 177.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 64.3 mttp . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.753 176.468 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.4 ttm . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 110.467 -0.197 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.1 m 75.73 -45.81 0.54 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 122.899 0.48 . . . . 0.0 111.993 174.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -83.8 81.54 8.72 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 178.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -67.92 151.62 46.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.44 -178.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.9 t -83.63 39.24 0.67 Allowed 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 121.266 0.555 . . . . 0.0 111.955 -170.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -159.77 159.6 32.93 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -70.16 134.36 48.04 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 176.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.521 ' HB3' HG23 ' A' ' 11' ' ' VAL . 47.0 t -71.98 147.36 91.13 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.438 -178.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -58.06 -24.85 68.03 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.627 2.218 . . . . 0.0 112.632 178.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.63 -13.78 57.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.788 0.328 . . . . 0.0 110.519 -178.023 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.521 HG23 ' HB3' ' A' ' 8' ' ' SER . 79.7 t -64.56 -42.79 96.16 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.22 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.738 177.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.417 ' O ' HG23 ' A' ' 16' ' ' VAL . 61.4 ttp180 -56.63 -49.06 76.09 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.131 -178.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -62.04 -43.41 98.9 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.158 0.504 . . . . 0.0 110.761 -178.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.46 HH22 HG22 ' A' ' 11' ' ' VAL . 35.4 ttp-105 -68.89 -42.46 76.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.99 -178.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.501 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -59.75 -45.53 91.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.554 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 12' ' ' ARG . 90.1 t -61.77 -39.83 84.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.876 0.369 . . . . 0.0 110.419 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -66.64 -37.28 84.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.177 177.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.8 mmt -59.57 -43.28 93.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.696 175.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.514 ' O ' ' HB2' ' A' ' 23' ' ' GLN . 85.9 t -56.9 -45.77 83.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.46 178.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.1 mt -69.72 -41.44 75.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.035 0.445 . . . . 0.0 110.816 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -57.8 -49.87 75.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.497 -178.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.542 ' HB3' HG23 ' A' ' 32' ' ' THR . 8.1 t -81.88 -13.85 57.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.344 -178.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.514 ' HB2' ' O ' ' A' ' 19' ' ' VAL . 34.6 tt0 -67.17 -25.34 66.11 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.616 0.722 . . . . 0.0 109.392 173.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.66 -6.17 76.3 Favored Glycine 0 CA--C 1.523 0.582 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.679 173.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -113.24 -57.41 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.671 -0.311 . . . . 0.0 110.937 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.401 ' CD2' ' HA ' ' A' ' 32' ' ' THR . 46.5 m-85 -69.94 137.94 51.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.629 0.252 . . . . 0.0 110.518 177.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -75.75 -38.58 58.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.109 0.481 . . . . 0.0 109.909 178.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 p -104.59 126.96 52.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.562 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -65.54 -19.86 66.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.375 -175.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -61.28 -47.13 87.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.985 0.422 . . . . 0.0 110.23 177.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.96 -34.8 78.93 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.35 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.542 HG23 ' HB3' ' A' ' 22' ' ' SER . 13.3 m -55.62 -58.37 8.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.67 176.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.661 HG23 HD23 ' A' ' 47' ' ' LEU . 71.7 mt -62.06 -36.46 74.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.824 -178.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.2 t -61.37 -40.79 95.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.665 -177.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.409 ' O ' ' HD2' ' A' ' 38' ' ' PRO . 43.5 m -80.36 -28.49 38.02 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -176.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 32' ' ' THR . 74.3 mt -79.17 -27.14 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.809 0.338 . . . . 0.0 111.515 -176.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.581 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -54.79 -53.71 57.66 Favored Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -177.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.581 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 5.6 Cg_exo -77.65 -7.83 16.81 Favored 'Trans proline' 0 C--N 1.356 0.974 0 C-N-CA 122.334 2.022 . . . . 0.0 112.163 -179.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -74.22 -39.56 63.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.169 0.509 . . . . 0.0 110.098 178.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.9 mt -96.53 -41.46 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.414 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.61 48.88 0.57 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.066 -178.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.41 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 83.5 m -141.95 174.09 10.91 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.0 p -93.25 148.37 35.5 Favored Pre-proline 0 C--N 1.318 -0.781 0 C-N-CA 121.182 -0.207 . . . . 0.0 110.732 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.94 -35.75 90.35 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.88 2.387 . . . . 0.0 112.443 -178.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.527 ' O ' HG23 ' A' ' 49' ' ' VAL . 11.5 mm-40 -61.37 -43.59 98.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.293 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.4 m -65.16 -43.23 92.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.894 0.378 . . . . 0.0 110.713 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.661 HD23 HG23 ' A' ' 33' ' ' ILE . 53.0 tp -65.75 -38.43 89.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.425 178.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -58.28 -42.73 87.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.497 177.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 45' ' ' GLU . 91.2 t -64.13 -42.83 96.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.009 178.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 48.5 m0 -59.43 -41.33 89.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.813 0.339 . . . . 0.0 111.089 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 47' ' ' LEU . 57.9 t -62.3 -48.92 86.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.557 178.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 36.6 ttm-85 -63.21 -38.28 90.56 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.151 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -66.78 -30.16 70.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.697 0.284 . . . . 0.0 110.93 177.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -71.15 -32.1 68.53 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 175.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -67.4 -41.86 84.25 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 174.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.456 ' HA ' ' CA ' ' A' ' 60' ' ' GLY . 46.3 ttp180 -61.43 -41.73 97.64 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.937 176.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -55.37 -45.82 76.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.378 178.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.3 m -76.22 -40.92 50.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.035 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -177.74 80.88 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.305 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.456 ' CA ' ' HA ' ' A' ' 56' ' ' ARG . . . -83.92 -32.07 24.74 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.85 -0.69 . . . . 0.0 111.742 179.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -129.05 -73.41 0.58 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 175.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.0 t70 54.04 91.96 0.02 OUTLIER 'General case' 0 C--O 1.234 0.263 0 O-C-N 124.265 0.978 . . . . 0.0 112.621 174.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.4 ' O ' HG22 ' A' ' 66' ' ' THR . . . 141.27 -153.77 24.16 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.966 176.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.27 -97.12 1.88 Allowed Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.528 177.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.706 ' H ' HD23 ' A' ' 65' ' ' LEU . 2.7 pt? -109.88 -6.73 15.13 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.547 0.203 . . . . 0.0 111.547 -176.15 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 63' ' ' GLY . 11.4 t -83.36 -25.81 31.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.002 0.43 . . . . 0.0 110.681 -178.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 p -88.4 94.72 9.95 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 121.291 0.567 . . . . 0.0 110.737 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.68 81.36 3.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.901 -175.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -176.73 130.6 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.097 174.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -126.14 -60.59 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 173.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -135.35 121.09 19.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.329 178.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -82.41 76.09 9.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.179 0.514 . . . . 0.0 111.33 -178.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.5 tp -167.03 -65.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.428 175.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.7 pttt -94.4 39.5 1.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.8 0.809 . . . . 0.0 109.201 173.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.524 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . 2.4 tm-20 -64.41 -49.28 72.61 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 114.288 -1.323 . . . . 0.0 112.683 -175.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.524 ' HD3' ' HB3' ' A' ' 75' ' ' GLU . 34.8 Cg_exo -63.71 -10.58 22.81 Favored 'Trans proline' 0 C--N 1.36 1.156 0 C-N-CA 122.266 1.977 . . . . 0.0 113.07 -178.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 65.5 112.53 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.741 0.651 . . . . 0.0 111.569 178.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -106.88 9.96 30.73 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.078 0.466 . . . . 0.0 110.57 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -75.54 92.39 2.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.416 174.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -84.41 9.92 12.04 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.285 0.564 . . . . 0.0 110.665 -177.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -124.5 145.44 49.54 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -73.71 173.55 9.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.847 0.356 . . . . 0.0 111.187 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.2 mp -75.0 173.02 11.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.212 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -152.91 171.39 18.38 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.765 0.317 . . . . 0.0 110.752 -176.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 85' ' ' ARG . 14.8 ttm180 -117.27 85.7 2.38 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 170.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 26.7 m -52.67 109.26 0.38 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.168 0.509 . . . . 0.0 111.822 -173.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -143.42 142.72 31.33 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 177.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -106.74 94.76 5.3 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.064 0.459 . . . . 0.0 111.052 -175.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 69.2 mt -117.08 106.74 20.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.5 174.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.6 mp -106.57 -108.02 0.31 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.161 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.464 ' HD3' ' HA ' ' A' ' 91' ' ' ARG . 20.3 mmt180 -126.69 114.41 17.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.827 0.346 . . . . 0.0 110.567 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.911 ' HG ' ' H ' ' A' ' 93' ' ' ALA . 17.6 tp -158.36 -159.35 0.79 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.911 ' H ' ' HG ' ' A' ' 92' ' ' LEU . . . 68.0 86.75 0.13 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.32 0.581 . . . . 0.0 111.291 178.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 42.7 t -81.9 -63.36 1.4 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.519 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -163.78 167.96 20.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.329 -0.396 . . . . 0.0 109.943 -178.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -165.07 147.09 7.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.074 0.464 . . . . 0.0 111.374 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -116.03 135.26 54.12 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 170.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.97 74.2 5.49 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -172.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 55.7 25.87 8.71 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.657 172.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.87 -60.53 1.84 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 176.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -94.15 120.74 34.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.379 175.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -86.68 131.36 34.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.661 -176.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -99.2 105.12 17.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.832 0.349 . . . . 0.0 111.464 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 104' ' ' ARG . 16.5 ptt180 -122.82 117.82 26.54 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 170.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.3 mp -106.13 -36.83 6.79 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.272 -175.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 24.6 p-90 -128.11 29.61 5.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.884 -172.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -120.63 128.21 52.8 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.292 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.578 -0.725 . . . . 0.0 110.235 178.393 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.3 ttm . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.0 m 45.83 78.42 0.07 Allowed 'General case' 0 CA--C 1.53 0.178 0 O-C-N 123.891 0.745 . . . . 0.0 111.878 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -98.07 7.69 45.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.292 0.568 . . . . 0.0 110.166 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -76.68 88.69 3.35 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.22 -1.029 . . . . 0.0 108.22 169.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.0 m -88.93 105.33 17.7 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.517 0.675 . . . . 0.0 112.127 -170.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.7 ttm-85 -125.36 141.07 52.28 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.116 -0.947 . . . . 0.0 108.846 171.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -68.16 99.17 0.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.49 0.662 . . . . 0.0 111.323 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.2 m -66.27 158.51 77.09 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.418 177.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -47.88 -50.47 11.67 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.16 2.573 . . . . 0.0 113.199 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -57.56 -37.61 73.4 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.733 0.301 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.452 HG13 HG21 ' A' ' 40' ' ' ILE . 88.2 t -63.41 -43.8 98.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.519 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -64.51 -46.84 81.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.184 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -62.46 -41.67 98.92 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.496 178.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.419 ' O ' ' HG3' ' A' ' 18' ' ' MET . 5.7 tpp180 -56.75 -51.54 68.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.33 178.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.509 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -56.26 -54.3 47.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.372 -177.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 72.5 t -57.31 -44.67 84.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.499 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 47.7 ttt85 -63.98 -46.21 85.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.947 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.419 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 87.8 mtp -61.11 -35.78 77.94 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.907 0.384 . . . . 0.0 110.92 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 15' ' ' ALA . 69.7 t -63.76 -42.3 95.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.422 176.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.8 mt -67.35 -42.51 83.39 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.844 0.354 . . . . 0.0 110.776 179.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 17' ' ' ARG . 44.7 mt-10 -57.76 -44.83 86.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.038 177.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.499 ' HB2' HG23 ' A' ' 32' ' ' THR . 16.4 m -78.77 -16.73 56.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.99 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.662 HE22 ' HB2' ' A' ' 29' ' ' GLN . 5.1 tp-100 -67.84 -28.93 67.98 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 175.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.59 3.52 59.44 Favored Glycine 0 CA--C 1.523 0.543 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.484 174.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -121.71 -45.57 2.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.982 0.42 . . . . 0.0 110.475 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -85.86 154.57 21.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.46 177.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -91.19 -21.81 20.95 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.37 0.605 . . . . 0.0 109.497 175.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.3 m -127.12 117.33 22.19 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.001 -178.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.662 ' HB2' HE22 ' A' ' 23' ' ' GLN . 10.2 tt0 -59.97 -19.03 50.03 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.108 178.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.9 t-105 -52.58 -45.57 66.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.531 177.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.59 -30.25 59.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.822 -178.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.499 HG23 ' HB2' ' A' ' 22' ' ' SER . 7.2 m -62.2 -49.23 76.61 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.972 -179.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.837 HG23 HD23 ' A' ' 47' ' ' LEU . 98.8 mt -55.68 -47.83 78.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.077 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 54.3 m -69.72 -15.04 63.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.646 -0.707 . . . . 0.0 112.117 -174.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.2 m -98.13 -36.19 10.15 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.715 -177.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.3 mt -85.66 -28.64 6.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.637 0.256 . . . . 0.0 111.512 -175.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.414 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -53.03 -52.81 61.96 Favored Pre-proline 0 CA--C 1.539 0.556 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 55.6 Cg_endo -69.64 -14.05 35.89 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.019 1.813 . . . . 0.0 113.209 -178.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -72.92 -49.64 28.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.995 0.426 . . . . 0.0 110.581 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.452 HG21 HG13 ' A' ' 11' ' ' VAL . 37.4 mt -86.74 -24.52 6.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.129 0.49 . . . . 0.0 110.361 -178.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.09 43.09 6.43 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.562 -179.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 86.4 m -122.54 152.22 40.59 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.908 0.385 . . . . 0.0 110.487 -178.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.438 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -66.72 125.56 90.86 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.322 179.333 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 43' ' ' THR . 32.7 Cg_exo -59.23 -30.24 92.45 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.91 2.407 . . . . 0.0 112.109 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -64.56 -40.94 96.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.565 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.4 m -67.48 -32.9 74.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.324 178.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.837 HD23 HG23 ' A' ' 33' ' ' ILE . 49.6 tp -63.76 -37.64 88.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.054 178.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 36.3 mtt180 -58.76 -38.97 79.65 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.229 0.538 . . . . 0.0 110.139 175.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.6 t -66.12 -42.89 92.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.583 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 30.9 m0 -61.13 -36.15 78.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.836 178.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 47' ' ' LEU . 87.9 t -59.42 -49.65 82.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.138 175.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -60.95 -53.12 61.13 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.473 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -61.15 -45.52 94.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.621 -173.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -66.9 -48.55 68.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.532 0.206 . . . . 0.0 111.349 -175.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -74.1 -20.91 60.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.841 0.353 . . . . 0.0 111.199 -174.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.1 -32.5 19.89 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -68.17 -51.41 46.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.682 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.1 m -80.55 78.5 7.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.256 0.55 . . . . 0.0 110.26 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 132.71 -115.54 1.61 Allowed Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 -176.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.71 -177.38 16.56 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.807 176.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -104.56 150.21 24.83 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -68.21 -62.67 1.29 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.908 0.385 . . . . 0.0 110.841 -176.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.1 2.87 54.66 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.045 177.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -134.56 158.2 23.33 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.367 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 64.3 tp -76.34 -60.18 2.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.195 0.522 . . . . 0.0 109.638 176.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.0 m -128.18 25.56 5.84 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 175.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 21.3 m 64.17 -92.86 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 114.301 -1.318 . . . . 0.0 110.091 -173.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 67' ' ' THR . . . 167.1 -70.82 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 123.915 0.886 . . . . 0.0 109.239 179.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -155.16 135.03 12.84 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.103 -0.953 . . . . 0.0 108.865 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 70' ' ' ARG . 11.6 ttp85 -58.7 -55.13 39.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.82 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -103.93 95.01 5.71 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.162 0.506 . . . . 0.0 110.44 175.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 58.4 ttp85 -86.48 102.8 14.42 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.171 178.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.0 mt -98.23 22.35 9.69 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -169.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -139.67 149.02 43.2 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.768 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 67.01 113.72 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.304 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.844 174.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.4 112.18 1.67 Allowed 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.562 2.174 . . . . 0.0 111.138 174.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.85 153.84 31.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.124 -175.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.513 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 9.3 ttp180 -107.93 -72.46 0.72 Allowed 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.62 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 78' ' ' ARG . 5.2 mm-40 -169.52 29.0 0.02 OUTLIER 'General case' 0 C--O 1.235 0.335 0 C-N-CA 124.339 1.056 . . . . 0.0 108.483 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -76.19 88.94 3.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.929 -172.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -103.08 11.85 36.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.182 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -72.19 146.31 47.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.364 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 89.1 mt -102.8 -160.62 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.932 0.396 . . . . 0.0 111.117 -177.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.0 mtt-85 -100.2 -178.63 3.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.938 -177.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -78.9 13.49 1.71 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.0 0.428 . . . . 0.0 111.563 -178.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.1 p -98.06 -54.73 2.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.611 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 21.0 m120 59.91 -156.01 0.35 Allowed 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.331 0.395 . . . . 0.0 110.166 -176.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -116.95 131.65 56.9 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 174.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 27.9 pt -134.66 1.72 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.861 0.362 . . . . 0.0 111.053 -178.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 56.0 tp -125.25 130.88 52.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.814 -175.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -71.44 116.23 11.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.911 176.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.4 mt -104.77 -168.91 1.54 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.071 -176.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 67.44 -85.15 0.03 OUTLIER 'General case' 0 C--O 1.235 0.308 0 O-C-N 124.031 0.832 . . . . 0.0 111.791 178.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.1 p -136.27 99.23 4.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.316 0.579 . . . . 0.0 111.589 -176.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.36 -70.74 0.48 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 173.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -144.01 144.8 31.82 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.246 173.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -97.94 115.64 28.55 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.48 -26.97 67.43 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.912 -174.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.406 ' HB3' ' HG3' ' A' ' 101' ' ' GLU . 54.8 mttp 72.59 -46.07 0.64 Allowed 'General case' 0 N--CA 1.473 0.686 0 O-C-N 123.807 0.692 . . . . 0.0 111.589 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 68.62 24.35 6.9 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 123.439 0.696 . . . . 0.0 111.291 178.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.406 ' HG3' ' HB3' ' A' ' 99' ' ' LYS . 40.0 mt-10 -75.4 122.99 24.62 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 174.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -87.42 111.22 20.9 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 -166.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.422 ' CG ' ' H ' ' A' ' 104' ' ' ARG . 3.2 t70 67.95 -165.94 0.2 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 114.689 -1.141 . . . . 0.0 112.346 168.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.422 ' H ' ' CG ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER 68.1 70.43 0.32 Allowed 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.67 0.788 . . . . 0.0 110.299 -173.644 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 44.8 tp -84.49 -62.06 1.64 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.516 -178.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -91.31 107.45 19.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.076 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -63.25 -53.79 47.5 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.545 -176.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 65.4 tttm . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.454 -0.784 . . . . 0.0 109.583 178.487 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p -61.72 107.02 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -175.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.6 mttp -133.4 -0.51 3.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.369 167.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -90.33 -0.39 57.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.971 177.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.6 m -70.24 88.9 0.63 Allowed 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.519 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 22.3 tpp85 -104.11 145.17 30.57 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.053 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -66.23 123.26 19.45 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 176.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.4 m -55.39 136.9 69.33 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.47 -32.84 75.22 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.134 2.556 . . . . 0.0 112.061 -178.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -59.68 -43.41 94.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.053 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.4 t -69.22 -44.3 80.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.311 -178.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -62.23 -41.8 98.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.511 178.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -66.38 -47.83 72.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.554 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -60.89 -37.41 82.11 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.51 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -56.8 -60.61 3.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 178.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.6 t -58.95 -40.19 79.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.548 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -55.78 -54.21 47.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.41 178.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 70.7 mtm -66.49 -31.29 71.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.566 -175.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 15' ' ' ALA . 96.8 t -66.31 -40.57 87.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.874 0.369 . . . . 0.0 110.865 177.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.6 mt -68.14 -47.57 67.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.343 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -66.47 -28.83 68.89 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -176.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.2 p -80.89 -32.14 34.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.123 0.487 . . . . 0.0 110.194 176.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.465 HE21 ' HB3' ' A' ' 23' ' ' GLN . 0.9 OUTLIER -64.4 -19.93 65.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.541 175.409 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.4 -13.94 61.28 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.77 175.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -119.47 -45.55 2.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.91 0.355 . . . . 0.0 110.933 178.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -78.82 136.1 37.25 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.111 178.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -70.66 -44.09 67.78 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.208 0.527 . . . . 0.0 110.669 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.6 t -89.58 122.18 32.48 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.349 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.563 ' O ' HG13 ' A' ' 33' ' ' ILE . 52.6 tt0 -74.48 -22.21 59.2 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -66.41 -29.39 69.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.65 175.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.6 -32.15 63.94 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.091 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.0 p -77.96 -31.06 50.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.809 0.338 . . . . 0.0 110.353 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 29' ' ' GLN . 75.8 mt -56.73 -49.37 78.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 177.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.7 p -80.07 -7.63 58.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.79 0.328 . . . . 0.0 111.215 -179.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.414 ' O ' ' HD2' ' A' ' 38' ' ' PRO . 22.3 t -92.36 -37.56 12.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.991 0.425 . . . . 0.0 110.534 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.8 mp -87.45 -22.44 6.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.987 -178.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.513 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -49.19 -48.81 72.87 Favored Pre-proline 0 CA--C 1.542 0.667 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 178.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.513 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 20.2 Cg_exo -66.22 -21.82 54.54 Favored 'Trans proline' 0 C--N 1.358 1.051 0 C-N-CA 122.068 1.845 . . . . 0.0 112.643 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -75.95 -32.27 59.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.041 0.448 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.6 mt -89.3 -36.53 8.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.932 176.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.52 36.87 4.7 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -176.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.0 p -129.27 173.59 10.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.076 0.465 . . . . 0.0 111.069 -176.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.4 m -87.34 144.44 35.89 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.253 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -43.37 -44.3 10.45 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.116 2.544 . . . . 0.0 112.93 175.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.521 ' O ' HG23 ' A' ' 49' ' ' VAL . 8.9 tp10 -58.47 -46.93 85.64 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.886 0.374 . . . . 0.0 110.864 176.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.6 m -58.04 -39.4 78.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.859 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 33' ' ' ILE . 41.8 tp -68.01 -38.09 82.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.207 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.407 HH21 ' CD ' ' A' ' 45' ' ' GLU . 28.5 ttp180 -66.48 -32.89 74.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.262 177.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.595 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 90.5 t -59.58 -46.55 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.597 176.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -62.71 -39.37 93.81 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.894 0.378 . . . . 0.0 110.843 178.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 47' ' ' LEU . 89.8 t -64.3 -40.36 88.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.22 176.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -64.49 -36.35 83.9 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.655 178.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.595 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 84.0 mm-40 -62.01 -44.48 96.64 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 176.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.561 ' HA ' ' HB3' ' A' ' 57' ' ' ASP . 81.1 t60 -70.81 -29.39 65.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.51 178.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -59.5 -46.12 89.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.149 176.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -75.65 -36.37 60.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.778 0.323 . . . . 0.0 110.478 177.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.561 ' HB3' ' HA ' ' A' ' 54' ' ' HIS . 6.3 t70 -52.15 -45.55 65.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.774 177.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.1 m -102.83 -15.84 16.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.501 -176.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -94.07 -8.93 59.91 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.755 -0.736 . . . . 0.0 113.448 -175.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 129.57 132.1 3.44 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.363 177.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -69.18 150.91 46.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.266 0.555 . . . . 0.0 111.231 -178.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -122.26 -161.67 0.95 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.14 29.33 73.31 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.134 -0.555 . . . . 0.0 112.325 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -125.0 79.56 0.36 Allowed Glycine 0 N--CA 1.45 -0.413 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.1 tp 72.14 4.09 4.9 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.697 0.761 . . . . 0.0 110.093 -176.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.535 HG22 ' HD2' ' A' ' 70' ' ' ARG . 17.9 p -93.68 123.22 36.86 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.499 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 27.9 p -133.62 -87.84 0.41 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.381 0.61 . . . . 0.0 110.433 -178.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -146.2 13.65 1.27 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.395 176.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -154.35 91.48 1.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.191 -176.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.535 ' HD2' HG22 ' A' ' 66' ' ' THR . 78.7 ttt180 -127.05 -48.91 1.46 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.647 175.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -80.39 82.13 6.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.459 177.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 55.9 ttt180 -132.59 15.46 4.43 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.466 -177.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.0 tt -78.81 107.15 11.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.899 -176.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -101.67 147.79 26.02 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.079 176.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 63.04 86.63 0.14 Allowed Pre-proline 0 CA--C 1.53 0.193 0 O-C-N 123.954 0.784 . . . . 0.0 110.692 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -83.05 116.34 2.43 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.917 2.411 . . . . 0.0 113.217 -175.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -104.79 120.52 41.58 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 174.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -72.53 -40.98 66.33 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -169.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.76 110.06 2.68 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.237 0.542 . . . . 0.0 110.59 -178.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -74.54 94.94 2.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.563 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 81' ' ' ARG . 39.6 ttp180 -92.56 95.78 9.81 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 177.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -84.17 89.05 7.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.028 -176.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.8 mp 47.67 -103.39 0.1 Allowed 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.877 0.735 . . . . 0.0 110.529 -177.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -106.37 -59.19 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 172.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 40.9 ttt85 -178.58 161.94 1.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.09 -0.959 . . . . 0.0 108.435 176.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.7 m -76.74 11.48 1.68 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 120.729 0.3 . . . . 0.0 110.814 176.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 64.32 -89.32 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.33 0.652 . . . . 0.0 111.465 -178.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -125.14 -166.25 1.51 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 -177.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 27.7 pt -136.31 179.72 3.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.785 0.326 . . . . 0.0 110.828 -177.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.814 ' H ' HD23 ' A' ' 90' ' ' LEU . 1.6 pt? -69.33 111.86 5.5 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 173.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -86.97 104.47 16.32 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.38 -173.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 40.8 mt -78.84 89.72 4.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.017 175.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 71.63 154.68 0.14 Allowed 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.994 0.809 . . . . 0.0 110.445 -171.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.7 m -79.4 90.13 5.02 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.692 -176.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 71.01 -54.5 0.66 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.977 175.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 57.81 -143.83 0.65 Allowed 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -177.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -99.67 12.69 35.91 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.402 0.62 . . . . 0.0 110.057 176.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.08 -28.34 61.34 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.719 174.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -68.39 151.46 46.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.945 175.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.16 -42.19 21.24 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.785 -177.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -153.5 177.02 11.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.409 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.582 ' HD2' ' HA ' ' A' ' 105' ' ' LEU . 31.8 t80 -99.8 132.28 45.24 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 175.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.407 ' C ' ' H ' ' A' ' 105' ' ' LEU . 32.7 t70 -61.67 102.17 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 O-C-N 123.27 0.356 . . . . 0.0 111.771 -175.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 104' ' ' ARG . 46.2 ttm180 72.0 -38.38 0.42 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.834 0.854 . . . . 0.0 112.262 177.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.582 ' HA ' ' HD2' ' A' ' 102' ' ' PHE . 57.7 tp 74.67 -78.7 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 123.5 0.72 . . . . 0.0 110.147 -177.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 61.1 t-105 47.77 67.6 0.8 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.484 0.659 . . . . 0.0 110.005 -179.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -107.11 -31.41 8.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.053 -171.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 21.8 tptm . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.505 -0.759 . . . . 0.0 110.27 -179.352 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.0 ptp . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 p -78.67 139.6 38.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.16 0.505 . . . . 0.0 111.218 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -97.61 23.36 7.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.317 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -78.62 63.49 3.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.78 -174.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.2 p -104.18 33.32 3.53 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.543 0.687 . . . . 0.0 109.166 172.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 50.0 mtt180 -95.52 -178.56 4.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.333 -175.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -109.36 159.06 17.3 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 174.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.44 ' HB2' HG23 ' A' ' 11' ' ' VAL . 15.8 m -58.36 143.93 79.01 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 110.399 -0.222 . . . . 0.0 110.399 177.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -56.25 -29.28 75.43 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.769 2.313 . . . . 0.0 111.893 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -66.28 -29.84 70.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.44 HG23 ' HB2' ' A' ' 8' ' ' SER . 87.9 t -61.34 -51.6 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.185 -176.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.0 mtm-85 -66.86 -33.54 75.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.952 0.406 . . . . 0.0 110.702 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.6 tm0? -66.13 -52.9 44.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.803 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -69.08 -28.27 66.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.777 -178.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.522 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -61.31 -55.13 35.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.861 178.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.411 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 61.4 t -62.77 -36.19 74.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.374 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.5 mmm-85 -56.31 -52.62 63.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.792 174.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 40.8 ttm -61.71 -36.55 81.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.364 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 15' ' ' ALA . 70.1 t -61.2 -47.78 91.97 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.295 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.839 176.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 16' ' ' VAL . 95.4 mt -62.14 -43.8 98.03 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.727 0.299 . . . . 0.0 111.238 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.47 -42.87 97.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.04 0.448 . . . . 0.0 110.854 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.559 ' HB2' HG23 ' A' ' 32' ' ' THR . 48.2 m -78.87 -21.19 47.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -68.65 -31.61 70.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.054 0.454 . . . . 0.0 110.314 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.41 -16.15 73.37 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.254 175.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -100.95 -47.35 4.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.939 0.399 . . . . 0.0 110.422 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -85.9 119.62 26.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.477 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.46 -54.29 42.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.244 178.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.435 ' HB3' ' HE3' ' A' ' 30' ' ' TRP . 19.5 m -88.86 127.44 35.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.46 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.42 ' O ' HG13 ' A' ' 33' ' ' ILE . 32.2 tt0 -58.76 -31.26 68.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.221 -178.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.435 ' HE3' ' HB3' ' A' ' 28' ' ' SER . 25.3 m-90 -62.45 -38.56 90.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.14 -34.98 79.29 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.084 0.469 . . . . 0.0 109.94 177.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.559 HG23 ' HB2' ' A' ' 22' ' ' SER . 22.5 m -62.84 -47.61 82.63 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.211 174.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.567 HG23 HD23 ' A' ' 47' ' ' LEU . 70.1 mt -60.82 -49.69 83.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.146 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 86.3 m -65.27 -16.89 64.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.796 -178.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.5 t -87.51 -43.62 11.89 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.894 0.378 . . . . 0.0 110.57 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.419 ' CD1' ' HA ' ' A' ' 19' ' ' VAL . 67.6 mt -88.92 -26.75 5.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -171.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.5 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -55.25 -56.2 31.22 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -178.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.5 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 69.2 Cg_endo -74.87 -14.18 21.54 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 121.593 1.529 . . . . 0.0 111.844 178.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -72.48 -49.41 33.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.689 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.4 mt -83.1 -38.34 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.491 177.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.61 39.84 1.84 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.386 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.1 p -127.31 158.36 37.42 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 33.3 p -75.09 132.72 76.36 Favored Pre-proline 0 C--N 1.32 -0.692 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.372 177.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -51.94 -34.48 56.51 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.495 2.797 . . . . 0.0 112.645 -178.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.453 ' O ' HG23 ' A' ' 49' ' ' VAL . 4.6 mp0 -64.92 -39.35 93.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.96 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.0 m -76.31 -35.21 58.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.015 0.436 . . . . 0.0 110.216 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.567 HD23 HG23 ' A' ' 33' ' ' ILE . 48.9 tp -62.98 -39.85 95.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.075 177.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -56.68 -40.39 75.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.299 175.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.542 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 97.5 t -62.59 -51.0 77.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.257 -178.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 30.5 m0 -59.05 -37.33 76.76 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 120.688 0.28 . . . . 0.0 111.197 -177.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.5 t -64.95 -50.0 77.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.107 176.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -62.23 -30.62 71.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.476 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.542 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 17.5 mm100 -68.49 -36.48 78.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.69 0.281 . . . . 0.0 110.83 177.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -83.01 -9.91 59.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.124 0.488 . . . . 0.0 110.806 178.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -94.4 -49.96 5.45 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.719 178.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.722 ' HD2' ' HA2' ' A' ' 63' ' ' GLY . 60.6 ttp85 -91.05 -40.71 11.48 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -173.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.521 ' HB3' ' O ' ' A' ' 53' ' ' GLN . 32.9 t70 -76.95 -36.36 56.59 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.248 -175.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 34.9 m -72.96 -41.77 64.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.417 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -163.12 60.51 0.27 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.235 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.504 ' HA3' ' HA ' ' A' ' 56' ' ' ARG . . . -121.91 122.6 5.16 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 121.127 -0.558 . . . . 0.0 112.256 -179.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -73.3 -35.64 66.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.067 0.461 . . . . 0.0 110.316 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -99.85 146.87 26.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.698 -178.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.722 ' HA2' ' HD2' ' A' ' 56' ' ' ARG . . . -119.5 31.01 5.56 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.206 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.89 149.97 25.26 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.087 179.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.6 mt -82.01 84.87 6.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.053 0.454 . . . . 0.0 110.508 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.2 t -90.61 163.41 14.57 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.418 -179.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.4 t -134.02 17.14 3.82 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.598 0.713 . . . . 0.0 109.983 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.43 161.73 41.93 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.852 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -74.29 139.88 44.53 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 176.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.606 ' HD3' ' H ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -78.15 63.44 3.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.625 0.726 . . . . 0.0 111.1 -176.353 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -175.64 89.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.033 176.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -74.36 104.76 5.23 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.0 0.428 . . . . 0.0 110.783 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 37.7 tp -94.44 -18.7 21.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.138 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.424 ' O ' ' HD3' ' A' ' 74' ' ' LYS . 1.1 tmtp? -73.87 84.06 1.69 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.433 0.635 . . . . 0.0 110.118 177.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -158.69 82.77 2.62 Favored Pre-proline 0 C--N 1.321 -0.671 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 176.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -85.49 12.43 3.06 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 123.423 2.749 . . . . 0.0 113.056 -171.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -147.18 151.91 37.53 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.043 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.74 -2.27 0.3 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.865 0.364 . . . . 0.0 111.341 -176.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -108.76 5.35 24.62 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.998 -175.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -100.1 32.65 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.086 0.47 . . . . 0.0 110.623 -176.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -81.01 75.11 8.0 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -77.07 84.82 3.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.835 0.826 . . . . 0.0 111.787 -174.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 98.9 mt -132.78 -61.02 0.86 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.68 -1.145 . . . . 0.0 108.643 174.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 84' ' ' ARG . 7.9 ptp85 -93.21 101.09 13.36 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 169.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -72.18 133.44 45.13 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.077 0.465 . . . . 0.0 110.931 -175.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.5 m -112.64 19.06 17.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.665 0.745 . . . . 0.0 109.472 178.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.508 ' O ' ' HD3' ' A' ' 91' ' ' ARG . 82.5 m-20 -86.04 -15.39 41.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.761 -176.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -118.14 -42.7 2.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.803 -176.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 15.8 pt -72.28 94.85 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.39 0.614 . . . . 0.0 111.33 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.2 mp 63.15 75.89 0.38 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.326 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.508 ' HD3' ' O ' ' A' ' 87' ' ' ASN . 35.0 ttp-105 -106.96 138.39 43.21 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.804 177.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.4 mp -69.97 145.51 51.79 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 176.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.22 94.14 4.08 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.782 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.9 p -86.8 91.45 8.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.309 0.576 . . . . 0.0 110.313 177.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -137.98 71.41 1.4 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.573 -177.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -168.7 -61.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.411 177.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 56.17 83.28 0.1 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.545 -177.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.78 141.0 58.17 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.385 -173.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.421 ' N ' ' HD2' ' A' ' 99' ' ' LYS . 0.7 OUTLIER -90.62 -0.01 57.53 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.211 179.333 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.95 -19.16 65.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.845 178.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -62.57 -35.92 81.03 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.422 175.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -87.34 102.16 14.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.073 176.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -84.25 129.27 34.9 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.432 0.634 . . . . 0.0 110.758 -174.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.859 ' HB2' ' HB2' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -127.58 114.34 17.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.183 177.813 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 26.4 tp -104.43 -47.65 4.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.231 -170.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -107.96 102.63 11.8 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -171.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.2 tttp 63.07 30.97 16.15 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.068 169.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.859 ' HB2' ' HB2' ' A' ' 104' ' ' ARG . 24.8 mtpp . . . . . 0 C--O 1.241 0.634 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.286 178.932 . . . . . . . . 1 1 . 1 stop_ save_