data_2z33_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 2z33 _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 ' 6' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 CA--C 1.537 0.447 0 N-CA-C 117.033 2.235 . . . . 1.0 117.033 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.5 mt -109.41 123.54 65.38 Favored 'Isoleucine or valine' 0 C--N 1.346 0.445 0 N-CA-C 106.274 -1.75 . . . . 1.0 106.274 173.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -127.71 117.28 21.63 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 121.161 -0.962 . . . . 1.0 110.979 177.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 18.5 ptm -147.59 134.35 20.03 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 120.734 -1.229 . . . . 1.0 109.781 -174.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 47.59 45.49 17.7 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 116.01 1.856 . . . . 1.0 116.01 177.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.77 5.85 86.69 Favored Glycine 0 C--N 1.348 1.242 0 O-C-N 120.041 -1.662 . . . . 1.0 115.864 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.9 tp -119.07 127.81 53.75 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 118.858 1.329 . . . . 1.0 109.047 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 87.9 p -124.33 128.82 49.67 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-O 122.488 1.137 . . . . 1.0 112.105 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.8 tt -125.26 126.54 45.31 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 120.473 -1.392 . . . . 1.0 109.11 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -109.86 110.9 58.99 Favored Pre-proline 0 N--CA 1.448 -0.535 0 O-C-N 121.1 -1.0 . . . . 1.0 108.392 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -66.52 -28.89 45.2 Favored 'Trans proline' 0 CA--C 1.511 -0.652 0 C-N-CA 122.691 2.261 . . . . 1.0 113.39 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.4 m -72.17 -45.04 62.04 Favored 'General case' 0 C--N 1.348 0.522 0 CA-C-O 122.003 0.906 . . . . 1.0 111.16 -177.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -89.83 -9.9 47.41 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 120.445 -1.409 . . . . 1.0 112.538 -174.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 35.8 m170 61.58 44.97 8.59 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 125.523 1.529 . . . . 1.0 111.627 -172.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -123.62 122.21 37.56 Favored 'General case' 0 N--CA 1.447 -0.605 0 O-C-N 121.555 -0.716 . . . . 1.0 111.234 -165.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.2 t -112.01 129.39 67.56 Favored 'Isoleucine or valine' 0 C--N 1.346 0.428 0 N-CA-C 107.146 -1.427 . . . . 1.0 107.146 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 46.5 mtp -135.27 145.53 47.65 Favored 'General case' 0 N--CA 1.446 -0.626 0 O-C-N 120.78 -1.2 . . . . 1.0 108.903 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.25 120.28 32.64 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 107.387 -1.338 . . . . 1.0 107.387 175.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.78 29.57 72.59 Favored Glycine 0 C--N 1.348 1.228 0 O-C-N 121.144 -0.972 . . . . 1.0 114.465 -175.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 63.27 34.72 13.05 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 126.781 2.032 . . . . 1.0 114.118 -173.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -130.53 129.99 22.87 Favored Pre-proline 0 N--CA 1.45 -0.444 0 N-CA-C 107.258 -1.386 . . . . 1.0 107.258 171.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -68.2 155.63 68.71 Favored 'Trans proline' 0 C--N 1.332 -0.328 0 C-N-CA 123.025 2.483 . . . . 1.0 115.165 -169.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.8 mt -124.79 155.94 38.55 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 106.676 -1.601 . . . . 1.0 106.676 169.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -126.8 133.27 50.84 Favored 'General case' 0 C--N 1.343 0.291 0 O-C-N 121.595 -0.691 . . . . 1.0 111.307 -169.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.9 ptp -160.71 158.44 28.72 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 122.173 0.987 . . . . 1.0 112.155 -178.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.96 174.56 43.23 Favored Glycine 0 C--N 1.349 1.256 0 C-N-CA 124.184 0.897 . . . . 1.0 115.098 175.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -78.77 -30.99 2.65 Favored 'Trans proline' 0 C--N 1.326 -0.654 0 C-N-CA 122.182 1.922 . . . . 1.0 112.879 -167.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.0 m -66.55 -39.41 88.52 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 120.303 1.411 . . . . 1.0 110.812 172.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -43.72 94.37 Favored 'General case' 0 C--N 1.348 0.539 0 C-N-CA 125.463 1.505 . . . . 1.0 111.893 174.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -61.07 -45.31 95.26 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 121.052 -1.03 . . . . 1.0 113.044 174.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -64.49 -41.29 96.55 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.503 -1.373 . . . . 1.0 113.711 178.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.6 tp -62.22 -43.14 99.5 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 120.584 -1.322 . . . . 1.0 113.02 172.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.4 tp -62.61 -42.44 99.58 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.845 -1.16 . . . . 1.0 113.299 173.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -60.62 -43.01 97.99 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 120.571 -1.331 . . . . 1.0 112.846 173.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -62.15 -46.02 90.84 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 120.749 -1.219 . . . . 1.0 112.816 173.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -64.43 -43.28 94.84 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.321 -1.487 . . . . 1.0 114.797 174.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 97.3 mtp -72.41 -20.86 61.35 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 119.667 -1.896 . . . . 1.0 113.667 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.2 p -84.99 -12.54 53.01 Favored 'General case' 0 C--N 1.345 0.405 0 O-C-N 120.351 -1.468 . . . . 1.0 111.533 170.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -133.2 62.76 62.96 Favored Pre-proline 0 C--N 1.35 0.63 0 N-CA-C 114.735 1.383 . . . . 1.0 114.735 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -74.22 149.72 41.08 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.621 2.214 . . . . 1.0 111.404 172.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.447 ' CD ' HH21 ' A' ' 99' ' ' ARG . 8.5 tp10 68.15 48.04 0.97 Allowed 'General case' 0 C--N 1.349 0.553 0 C-N-CA 125.971 1.708 . . . . 1.0 113.205 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -151.5 140.45 21.03 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 120.081 -1.637 . . . . 1.0 110.101 172.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.3 t -88.8 134.95 26.95 Favored 'Isoleucine or valine' 0 C--N 1.346 0.453 0 O-C-N 120.785 -1.197 . . . . 1.0 110.363 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -126.34 126.6 44.18 Favored 'General case' 0 CA--C 1.507 -0.697 0 C-N-CA 125.153 1.381 . . . . 1.0 108.802 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 81.9 p -74.0 164.44 26.63 Favored 'General case' 0 C--N 1.345 0.4 0 O-C-N 121.263 -0.898 . . . . 1.0 110.977 170.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -60.52 -32.87 71.88 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.291 -1.506 . . . . 1.0 112.483 177.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.56 -44.51 93.24 Favored 'General case' 0 C--N 1.35 0.593 0 N-CA-C 114.769 1.396 . . . . 1.0 114.769 170.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -65.31 -41.92 93.57 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.648 -1.282 . . . . 1.0 112.176 177.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.44 -41.78 98.98 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 121.249 -0.907 . . . . 1.0 112.836 174.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 66.2 mt -60.67 -47.4 86.43 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 120.496 -1.378 . . . . 1.0 113.94 173.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -64.36 -43.59 94.07 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 120.71 -1.244 . . . . 1.0 113.456 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -71.5 -48.31 49.79 Favored 'General case' 0 C--N 1.349 0.577 0 N-CA-C 115.961 1.838 . . . . 1.0 115.961 175.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.3 t -94.91 -53.33 8.43 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.499 0 O-C-N 119.65 -1.906 . . . . 1.0 111.85 -165.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 16.1 m-90 -71.66 -44.08 64.94 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 121.14 -0.975 . . . . 1.0 111.442 176.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 124.82 153.17 8.48 Favored Glycine 0 C--N 1.345 1.045 0 CA-C-O 122.472 1.04 . . . . 1.0 112.303 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 52.8 p -64.36 -43.25 95.12 Favored 'General case' 0 C--N 1.342 0.281 0 C-N-CA 125.766 1.626 . . . . 1.0 114.091 -176.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -101.84 7.26 41.72 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 120.679 -1.263 . . . . 1.0 110.545 -173.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.6 t -89.38 140.85 15.17 Favored 'Isoleucine or valine' 0 C--N 1.346 0.448 0 C-N-CA 125.628 1.571 . . . . 1.0 108.35 175.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -128.77 127.01 41.14 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 122.466 1.127 . . . . 1.0 112.878 -171.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.5 m -154.54 174.83 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.448 0 C-N-CA 127.58 2.352 . . . . 1.0 105.513 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -74.68 157.39 35.39 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 124.243 1.017 . . . . 1.0 112.371 169.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.19 -29.35 69.75 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 125.189 1.396 . . . . 1.0 112.218 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -88.04 6.02 38.14 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.698 -1.251 . . . . 1.0 112.517 -176.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.8 m -62.57 -36.36 82.45 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 119.816 -1.802 . . . . 1.0 111.447 156.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.4 t -61.68 -45.36 98.83 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 O-C-N 120.411 -1.43 . . . . 1.0 112.453 176.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.06 -46.23 79.02 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 126.165 1.786 . . . . 1.0 113.887 178.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 80.1 t -65.02 -42.15 93.92 Favored 'Isoleucine or valine' 0 C--N 1.346 0.444 0 C-N-CA 124.327 1.051 . . . . 1.0 112.114 175.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -68.24 -35.71 78.35 Favored 'General case' 0 C--N 1.345 0.372 0 O-C-N 119.998 -1.689 . . . . 1.0 113.879 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 9.7 mm -60.13 -42.26 89.43 Favored 'Isoleucine or valine' 0 C--N 1.348 0.501 0 O-C-N 120.604 -1.31 . . . . 1.0 112.083 170.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -61.38 -44.08 97.77 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 120.771 -1.206 . . . . 1.0 112.79 171.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.68 -41.5 97.65 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.839 -1.163 . . . . 1.0 113.889 175.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.7 tp -65.2 -45.45 84.73 Favored 'General case' 0 C--N 1.348 0.523 0 N-CA-C 113.565 0.95 . . . . 1.0 113.565 173.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -60.64 -44.23 96.62 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 119.926 -1.734 . . . . 1.0 113.539 172.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -58.59 -40.4 83.08 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 124.749 1.219 . . . . 1.0 112.698 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.65 -38.16 90.07 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 115.451 1.648 . . . . 1.0 115.451 173.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.8 mt -95.14 -9.81 32.43 Favored 'General case' 0 C--N 1.358 0.966 0 O-C-N 120.623 -1.298 . . . . 1.0 111.623 -174.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -60.1 -45.96 97.92 Favored Pre-proline 0 C--N 1.346 0.456 0 CA-C-O 116.491 -1.719 . . . . 1.0 115.546 177.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -76.56 -14.88 17.69 Favored 'Trans proline' 0 CA--C 1.515 -0.467 0 CA-C-N 125.181 2.886 . . . . 1.0 110.534 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -89.16 1.49 82.76 Favored Glycine 0 C--N 1.345 1.076 0 C-N-CA 124.696 1.141 . . . . 1.0 113.322 171.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 74.57 15.16 80.64 Favored Glycine 0 C--N 1.351 1.378 0 CA-C-N 118.664 1.232 . . . . 1.0 115.65 174.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -122.11 9.0 9.83 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 121.071 -1.252 . . . . 1.0 114.235 -169.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -54.83 -35.38 63.89 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 115.374 1.62 . . . . 1.0 115.374 169.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.5 ptt-85 -69.76 -13.65 62.39 Favored 'General case' 0 C--N 1.349 0.569 0 N-CA-C 116.131 1.9 . . . . 1.0 116.131 -174.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 58.9 mtp -66.03 -36.25 82.75 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 120.681 -1.262 . . . . 1.0 113.089 168.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 56.3 t -80.42 98.06 3.38 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 C-N-CA 126.753 2.021 . . . . 1.0 110.418 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -114.67 161.07 18.6 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 124.521 1.129 . . . . 1.0 112.536 -168.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.1 m -116.71 131.09 57.04 Favored 'General case' 0 CA--C 1.508 -0.643 0 C-N-CA 124.252 1.021 . . . . 1.0 111.718 -168.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.0 t -110.25 103.03 14.84 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 N-CA-C 107.353 -1.351 . . . . 1.0 107.353 174.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.15 128.67 36.9 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.71 -1.244 . . . . 1.0 113.039 -176.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.45 5.61 89.39 Favored Glycine 0 C--N 1.351 1.371 0 C-N-CA 124.137 0.875 . . . . 1.0 114.438 -178.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 57.3 m -139.93 -60.18 0.54 Allowed 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 118.2 1.0 . . . . 1.0 110.884 -178.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 170.16 -133.43 2.81 Favored Glycine 0 C--N 1.349 1.274 0 O-C-N 119.879 -1.763 . . . . 1.0 113.582 -173.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -139.23 163.1 33.34 Favored 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 121.699 -0.883 . . . . 1.0 109.809 -170.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.447 HH21 ' CD ' ' A' ' 46' ' ' GLU . 56.7 ttt-85 -146.37 150.29 35.4 Favored 'General case' 0 C--N 1.347 0.48 0 N-CA-C 107.947 -1.131 . . . . 1.0 107.947 -177.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -118.39 139.89 50.69 Favored 'General case' 0 C--N 1.348 0.534 0 O-C-N 120.405 -1.434 . . . . 1.0 107.77 176.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.7 t -150.53 147.19 27.17 Favored 'General case' 0 CA--C 1.509 -0.628 0 O-C-N 120.662 -1.274 . . . . 1.0 109.766 -171.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.5 p . . . . . 0 C--N 1.346 0.416 0 N-CA-C 113.781 1.03 . . . . 1.0 113.781 173.157 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.45 -0.447 0 N-CA-C 104.509 -2.404 . . . . 1.0 104.509 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.0 mt -116.11 124.13 72.08 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 N-CA-C 106.938 -1.504 . . . . 1.0 106.938 -178.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -124.21 120.61 32.77 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-O 122.432 1.11 . . . . 1.0 111.549 -173.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 47.3 mtt -133.68 124.33 26.55 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.865 1.266 . . . . 1.0 109.038 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 59.66 32.62 21.61 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 115.387 1.625 . . . . 1.0 115.387 167.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.42 3.87 90.55 Favored Glycine 0 C--N 1.352 1.441 0 O-C-N 120.078 -1.639 . . . . 1.0 115.839 -172.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.9 tp -112.24 124.84 53.32 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.896 1.278 . . . . 1.0 108.426 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.6 p -125.98 136.13 52.64 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 120.521 -1.362 . . . . 1.0 113.292 -177.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 tt -123.71 130.7 53.04 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 125.502 1.521 . . . . 1.0 110.459 -173.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -117.02 114.27 39.15 Favored Pre-proline 0 C--O 1.238 0.468 0 N-CA-C 107.29 -1.374 . . . . 1.0 107.29 177.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -65.29 -31.48 52.96 Favored 'Trans proline' 0 CA--C 1.513 -0.548 0 C-N-CA 122.666 2.244 . . . . 1.0 114.742 -178.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.9 m -73.88 -45.07 53.15 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 122.211 1.005 . . . . 1.0 110.335 -176.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.8 t -79.46 -17.27 54.58 Favored 'General case' 0 C--N 1.345 0.377 0 O-C-N 120.666 -1.271 . . . . 1.0 112.89 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.5 m170 63.54 36.78 10.88 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 125.599 1.56 . . . . 1.0 112.273 -173.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -117.49 126.0 51.85 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 121.393 -0.817 . . . . 1.0 111.021 -165.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.5 t -112.17 117.1 54.37 Favored 'Isoleucine or valine' 0 C--N 1.347 0.493 0 C-N-CA 124.738 1.215 . . . . 1.0 107.84 176.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 13.4 tpt -119.78 125.17 47.93 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 120.852 -1.155 . . . . 1.0 109.267 -172.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.98 107.71 16.04 Favored 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 120.384 -1.448 . . . . 1.0 108.639 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.19 -105.68 0.52 Allowed Glycine 0 C--N 1.351 1.385 0 O-C-N 120.577 -1.327 . . . . 1.0 114.217 -172.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.4 8.27 35.73 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.319 1.448 . . . . 1.0 113.266 176.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -119.19 126.41 27.06 Favored Pre-proline 0 C--N 1.349 0.58 0 O-C-N 120.194 -1.566 . . . . 1.0 113.611 -169.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -92.15 119.66 0.5 Allowed 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 121.795 1.663 . . . . 1.0 110.007 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.8 mt -84.85 165.23 17.89 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 124.197 0.999 . . . . 1.0 113.165 -172.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -127.55 126.93 43.06 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 121.194 -0.941 . . . . 1.0 111.288 -175.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.6 ptp -158.44 162.19 37.53 Favored 'General case' 0 N--CA 1.447 -0.583 0 O-C-N 121.517 -0.739 . . . . 1.0 110.27 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.8 157.02 52.43 Favored Glycine 0 C--N 1.352 1.425 0 O-C-N 120.66 -1.275 . . . . 1.0 113.952 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -49.61 -44.65 34.61 Favored 'Trans proline' 0 C--N 1.33 -0.42 0 C-N-CA 124.657 3.571 . . . . 1.0 115.353 170.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 89.8 m -61.67 -40.12 93.83 Favored 'General case' 0 C--N 1.348 0.5 0 C-N-CA 124.511 1.124 . . . . 1.0 112.275 175.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -63.5 -40.84 98.11 Favored 'General case' 0 C--N 1.354 0.788 0 O-C-N 120.31 -1.494 . . . . 1.0 113.072 170.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -60.82 -46.45 90.47 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 121.002 -1.061 . . . . 1.0 112.82 175.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -62.12 -41.17 97.98 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.781 -1.2 . . . . 1.0 112.446 175.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.4 tp -62.45 -45.04 94.89 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 120.704 -1.247 . . . . 1.0 113.341 174.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.8 tp -64.12 -39.6 94.39 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 120.748 -1.22 . . . . 1.0 113.171 174.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -60.14 -43.2 95.9 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.468 -1.395 . . . . 1.0 112.853 172.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -62.62 -43.95 97.52 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.815 -1.178 . . . . 1.0 112.681 172.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -61.58 -44.16 97.54 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 120.176 -1.578 . . . . 1.0 114.811 173.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 96.9 mtp -78.26 -13.14 59.98 Favored 'General case' 0 C--N 1.346 0.418 0 O-C-N 119.396 -2.065 . . . . 1.0 113.733 -178.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.5 p -93.99 -4.55 49.44 Favored 'General case' 0 C--N 1.345 0.389 0 O-C-N 120.388 -1.445 . . . . 1.0 110.767 169.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -144.97 65.4 12.04 Favored Pre-proline 0 C--N 1.353 0.738 0 N-CA-C 114.633 1.346 . . . . 1.0 114.633 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -74.76 149.0 37.25 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 123.1 2.533 . . . . 1.0 112.372 173.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . 0.286 23.5 mt-10 59.95 47.61 9.7 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 128.877 2.871 . . . . 1.0 116.441 176.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.9 mmt180 -137.31 164.6 28.18 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 105.854 -1.906 . . . . 1.0 105.854 168.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.2 t -113.97 133.76 58.95 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 N-CA-C 108.885 -0.783 . . . . 1.0 108.885 -177.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -126.7 129.3 48.15 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 124.485 1.114 . . . . 1.0 108.922 -178.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.9 p -72.21 164.3 26.47 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.988 0.899 . . . . 1.0 111.829 169.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -59.76 -35.83 75.4 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 120.581 -1.324 . . . . 1.0 112.467 174.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 57.8 mp0 -60.86 -42.09 97.17 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 120.496 -1.377 . . . . 1.0 114.365 169.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -72.82 -33.43 66.18 Favored 'General case' 0 C--O 1.275 2.441 0 CA-C-N 121.156 1.798 . . . . 1.0 110.693 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 1.602 ' CA ' ' CB ' ' A' ' 54' ' ' LEU 0.804 21.2 mt -85.73 -16.26 39.52 Favored 'General case' 2 CA--C 1.643 4.523 1 CA-C-O 105.682 -6.866 . . . . 1.0 104.153 -179.718 . . . . . . . . 5 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . 0.278 45.8 mt -74.54 -32.13 62.35 Favored 'General case' 0 N--CA 1.39 -3.429 1 CA-C-N 129.771 5.714 . . . . 1.0 112.774 166.434 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -66.23 -43.06 87.71 Favored 'General case' 0 N--CA 1.425 -1.677 0 N-CA-C 114.128 1.159 . . . . 1.0 114.128 173.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -90.37 -25.16 20.57 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 115.472 1.656 . . . . 1.0 115.472 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 99.4 t -105.78 -62.19 2.22 Favored 'Isoleucine or valine' 0 C--N 1.348 0.539 0 O-C-N 120.868 -1.145 . . . . 1.0 111.169 -173.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 7.5 m-90 -65.98 -42.19 90.17 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 124.194 0.998 . . . . 1.0 112.418 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 110.22 174.49 20.6 Favored Glycine 0 C--N 1.345 1.081 0 CA-C-O 122.889 1.271 . . . . 1.0 112.59 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.0 p -98.32 0.05 44.79 Favored 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 120.833 -1.392 . . . . 1.0 111.813 -168.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -94.51 7.71 44.68 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 125.64 1.576 . . . . 1.0 110.077 172.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.0 t -117.76 136.61 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-O 123.145 1.45 . . . . 1.0 109.662 -171.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -135.7 6.06 3.18 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.053 -1.43 . . . . 1.0 114.007 -155.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.6 m -47.92 168.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 129.021 2.929 . . . . 1.0 117.45 175.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -80.38 170.74 15.98 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.573 -1.33 . . . . 1.0 110.109 173.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -74.74 -19.89 60.05 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 119.592 -1.943 . . . . 1.0 111.464 -171.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.61 -6.31 57.6 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.197 -1.564 . . . . 1.0 114.52 -169.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.3 t -72.81 -18.97 61.41 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 119.85 -1.781 . . . . 1.0 111.36 164.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.3 t -64.66 -48.87 82.91 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 O-C-N 119.737 -1.852 . . . . 1.0 111.625 164.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -58.7 -44.39 90.3 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 120.977 -1.077 . . . . 1.0 112.933 177.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.19 -46.19 96.5 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 C-N-CA 124.728 1.211 . . . . 1.0 112.813 175.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -70.72 -29.41 65.68 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 119.23 -2.168 . . . . 1.0 112.928 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.8 mm -60.93 -42.91 94.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.703 0 O-C-N 120.224 -1.547 . . . . 1.0 112.062 170.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -60.34 -43.84 96.08 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 120.715 -1.241 . . . . 1.0 112.191 170.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 52.5 mtp85 -62.12 -37.84 86.66 Favored 'General case' 0 C--N 1.344 0.348 0 O-C-N 120.639 -1.288 . . . . 1.0 114.172 175.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 37.7 tp -65.6 -45.65 82.35 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 120.611 -1.306 . . . . 1.0 113.285 172.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -59.23 -43.17 92.36 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.042 -1.661 . . . . 1.0 114.101 170.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -59.9 -42.03 92.96 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.718 -1.239 . . . . 1.0 113.194 175.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.15 -38.86 92.59 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 114.971 1.471 . . . . 1.0 114.971 174.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.7 mt -93.29 -3.53 53.4 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 120.454 -1.404 . . . . 1.0 111.212 -174.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -62.47 -47.89 87.87 Favored Pre-proline 0 C--N 1.351 0.655 0 CA-C-O 116.69 -1.624 . . . . 1.0 114.885 174.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -77.87 -15.13 15.15 Favored 'Trans proline' 0 CA--C 1.515 -0.459 0 CA-C-N 124.681 2.708 . . . . 1.0 110.188 176.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.416 ' O ' ' CD2' ' A' ' 86' ' ' HIS . . . -83.91 -0.99 89.88 Favored Glycine 0 C--N 1.345 1.067 0 C-N-CA 125.007 1.289 . . . . 1.0 113.888 172.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.79 25.17 71.71 Favored Glycine 0 C--N 1.352 1.418 0 N-CA-C 116.237 1.255 . . . . 1.0 116.237 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.416 ' CD2' ' O ' ' A' ' 84' ' ' GLY . 95.4 m-70 -134.54 9.29 3.67 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 121.191 -1.182 . . . . 1.0 114.073 -172.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -52.8 -33.76 50.39 Favored 'General case' 0 C--N 1.35 0.594 0 N-CA-C 115.325 1.602 . . . . 1.0 115.325 172.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.4 ptm85 -58.28 -28.16 64.71 Favored 'General case' 0 C--N 1.35 0.591 0 N-CA-C 116.128 1.899 . . . . 1.0 116.128 -177.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 44.8 mtm -71.64 -15.77 62.24 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.493 -1.38 . . . . 1.0 114.723 -174.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.2 t -84.71 108.36 16.7 Favored 'Isoleucine or valine' 0 C--N 1.35 0.596 0 O-C-N 120.986 -1.071 . . . . 1.0 109.272 173.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -104.32 156.72 17.68 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.682 1.193 . . . . 1.0 110.888 -176.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 85.5 m -119.27 132.54 55.92 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 122.4 1.095 . . . . 1.0 109.799 -174.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.0 t -113.61 105.1 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 N-CA-C 107.928 -1.138 . . . . 1.0 107.928 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 43.4 ttt85 -55.67 121.81 9.98 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 125.521 1.528 . . . . 1.0 113.504 -176.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.06 -0.47 79.03 Favored Glycine 0 C--N 1.349 1.266 0 C-N-CA 125.554 1.55 . . . . 1.0 114.577 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 26.2 m -126.54 -46.14 1.61 Allowed 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 118.61 1.205 . . . . 1.0 111.189 -174.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 155.91 -139.89 6.9 Favored Glycine 0 C--N 1.35 1.354 0 O-C-N 119.733 -1.854 . . . . 1.0 113.192 -176.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -134.56 162.83 31.17 Favored 'General case' 0 C--N 1.344 0.35 0 O-C-N 121.584 -0.951 . . . . 1.0 110.352 -172.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 21.8 ttt85 -143.02 149.29 38.08 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 125.395 1.478 . . . . 1.0 108.19 -174.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -120.66 135.36 55.14 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 120.473 -1.392 . . . . 1.0 108.884 176.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.5 t -145.4 125.69 13.88 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.633 -1.292 . . . . 1.0 111.352 -176.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.5 p . . . . . 0 C--N 1.349 0.57 0 C-N-CA 124.385 1.074 . . . . 1.0 113.78 177.039 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.9 m . . . . . 0 C--O 1.236 0.382 0 N-CA-C 115.603 1.705 . . . . 1.0 115.603 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 75.5 mt -117.04 121.33 67.53 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 N-CA-C 106.582 -1.636 . . . . 1.0 106.582 162.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -123.86 122.74 38.81 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 125.134 1.374 . . . . 1.0 111.094 -176.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 16.8 ptp -150.62 139.59 20.98 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 121.123 -0.986 . . . . 1.0 110.441 174.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.481 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 21.2 mm100 51.39 38.34 21.53 Favored 'General case' 0 C--N 1.348 0.522 0 C-N-CA 126.559 1.944 . . . . 1.0 116.061 176.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.04 3.59 90.65 Favored Glycine 0 C--N 1.349 1.261 0 O-C-N 120.602 -1.311 . . . . 1.0 114.914 -178.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.8 tp -114.27 128.27 56.28 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 124.722 1.209 . . . . 1.0 108.46 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.6 t -133.0 134.07 43.98 Favored 'General case' 0 CA--C 1.512 -0.492 0 O-C-N 120.736 -1.228 . . . . 1.0 110.702 -175.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 tt -127.76 133.99 49.5 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.434 1.494 . . . . 1.0 109.872 -173.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -116.54 113.25 40.69 Favored Pre-proline 0 C--N 1.348 0.529 0 O-C-N 121.201 -0.937 . . . . 1.0 109.033 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -61.68 -36.09 76.78 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 123.211 2.607 . . . . 1.0 113.728 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.2 m -66.29 -43.43 86.34 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 123.83 0.852 . . . . 1.0 112.856 -173.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.1 p -100.31 -2.6 33.23 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 121.059 -1.026 . . . . 1.0 112.917 -176.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.2 m170 68.66 26.63 6.2 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 126.185 1.794 . . . . 1.0 113.961 175.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -121.08 134.76 55.27 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 121.689 -0.632 . . . . 1.0 112.13 -164.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.8 t -116.54 128.28 73.93 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 C-N-CA 125.332 1.453 . . . . 1.0 109.984 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 96.8 mmm -118.78 140.45 49.93 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.338 1.455 . . . . 1.0 110.651 -175.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.87 106.45 12.07 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 121.211 -0.931 . . . . 1.0 108.63 168.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.91 -121.44 25.07 Favored Glycine 0 C--N 1.348 1.211 0 O-C-N 119.602 -1.937 . . . . 1.0 112.701 -160.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -98.51 3.09 48.14 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 121.285 -1.126 . . . . 1.0 111.779 174.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -85.53 124.62 71.18 Favored Pre-proline 0 C--N 1.35 0.626 0 C-N-CA 124.987 1.315 . . . . 1.0 111.687 -177.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -93.44 122.44 0.45 Allowed 'Trans proline' 0 N--CA 1.458 -0.566 0 CA-C-N 121.802 1.679 . . . . 1.0 111.001 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.4 mt -92.64 165.19 13.1 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.691 0.796 . . . . 1.0 111.298 -175.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -131.1 133.86 46.04 Favored 'General case' 0 C--N 1.345 0.392 0 O-C-N 120.951 -1.093 . . . . 1.0 111.466 -176.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 22.6 ptp -154.16 174.07 15.24 Favored 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 121.134 -0.979 . . . . 1.0 109.895 176.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -86.98 169.1 39.87 Favored Glycine 0 C--N 1.353 1.493 0 O-C-N 120.844 -1.16 . . . . 1.0 111.993 175.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -69.94 -30.41 21.49 Favored 'Trans proline' 0 C--N 1.324 -0.724 0 C-N-CA 122.985 2.457 . . . . 1.0 112.411 -173.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.2 m -67.26 -42.45 83.87 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 119.196 0.907 . . . . 1.0 112.183 172.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.4 -42.56 98.92 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 120.913 -1.117 . . . . 1.0 111.716 172.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -60.44 -46.76 88.88 Favored 'General case' 0 C--N 1.351 0.647 0 C-N-CA 123.974 0.91 . . . . 1.0 113.32 175.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -64.29 -40.1 95.26 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 120.291 -1.505 . . . . 1.0 113.332 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.8 tp -63.48 -44.64 93.82 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 124.817 1.247 . . . . 1.0 112.972 171.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.4 tp -62.54 -40.16 95.89 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 120.876 -1.14 . . . . 1.0 112.643 175.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -58.17 -40.74 82.22 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 120.431 -1.418 . . . . 1.0 112.838 172.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -64.99 -43.05 93.84 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.783 -1.198 . . . . 1.0 113.262 172.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -62.89 -43.17 99.52 Favored 'General case' 0 C--N 1.347 0.491 0 O-C-N 120.43 -1.418 . . . . 1.0 114.584 173.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 62.5 mmm -61.55 -32.31 72.37 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 120.503 -1.373 . . . . 1.0 113.407 177.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.5 p -87.41 -3.47 59.02 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 120.247 -1.533 . . . . 1.0 113.067 173.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 65.2 m80 -140.44 64.87 25.42 Favored Pre-proline 0 C--N 1.354 0.772 0 O-C-N 120.221 -1.549 . . . . 1.0 114.332 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -75.75 156.88 39.77 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.965 2.443 . . . . 1.0 112.887 176.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 62.34 39.55 12.12 Favored 'General case' 0 C--N 1.348 0.537 0 C-N-CA 126.586 1.955 . . . . 1.0 115.115 169.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -151.75 146.03 25.44 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.053 -1.091 . . . . 1.0 108.053 177.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.9 t -92.14 133.33 33.91 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 O-C-N 120.381 -1.45 . . . . 1.0 111.279 -172.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -123.8 127.77 48.57 Favored 'General case' 0 CA--C 1.507 -0.687 0 C-N-CA 125.082 1.353 . . . . 1.0 107.886 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 86.0 p -72.3 162.88 28.85 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 122.075 0.94 . . . . 1.0 111.01 171.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 74.8 mtt85 -60.14 -35.97 76.49 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 120.628 -1.295 . . . . 1.0 111.623 175.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -60.02 -43.57 95.16 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 114.354 1.242 . . . . 1.0 114.354 171.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -64.86 -43.75 91.99 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 119.986 -1.697 . . . . 1.0 111.822 175.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.01 -42.61 99.34 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.94 -1.1 . . . . 1.0 113.441 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.1 mt -61.73 -47.97 82.84 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 120.214 -1.554 . . . . 1.0 114.613 176.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -68.98 -40.91 78.52 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 120.693 -1.254 . . . . 1.0 113.79 177.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -67.82 -42.19 81.89 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 115.56 1.689 . . . . 1.0 115.56 174.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.3 t -99.86 -60.54 2.73 Favored 'Isoleucine or valine' 0 C--N 1.35 0.609 0 O-C-N 120.079 -1.638 . . . . 1.0 111.792 -170.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 8.4 m-90 -67.55 -43.04 81.67 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 121.012 -1.055 . . . . 1.0 112.147 -177.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 130.91 158.76 9.35 Favored Glycine 0 C--N 1.345 1.067 0 CA-C-O 122.928 1.293 . . . . 1.0 113.264 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 36.8 p -82.65 -20.17 36.8 Favored 'General case' 0 CA--C 1.515 -0.368 0 O-C-N 120.778 -1.424 . . . . 1.0 114.152 -172.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -115.46 15.19 16.76 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-O 122.532 1.158 . . . . 1.0 110.099 178.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.8 t -92.85 142.71 12.77 Favored 'Isoleucine or valine' 0 C--N 1.345 0.387 0 C-N-CA 124.895 1.278 . . . . 1.0 109.086 174.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -127.3 119.21 25.78 Favored 'General case' 0 C--N 1.342 0.273 0 O-C-N 120.726 -1.234 . . . . 1.0 111.907 -172.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.7 m -153.31 166.04 1.45 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.466 0 C-N-CA 126.007 1.723 . . . . 1.0 106.613 175.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -68.43 155.81 39.13 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 124.28 1.032 . . . . 1.0 112.171 173.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -57.84 -31.71 66.92 Favored 'General case' 0 C--N 1.346 0.44 0 C-N-CA 125.006 1.322 . . . . 1.0 111.785 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -89.48 5.96 43.05 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.656 1.182 . . . . 1.0 113.472 -174.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.4 m -74.85 -21.22 59.39 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 119.676 -1.89 . . . . 1.0 110.648 165.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.4 t -64.31 -47.27 90.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 O-C-N 120.194 -1.566 . . . . 1.0 112.189 167.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.2 -43.82 87.8 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 125.981 1.712 . . . . 1.0 113.256 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.81 -42.63 96.52 Favored 'Isoleucine or valine' 0 C--N 1.349 0.548 0 C-N-CA 124.59 1.156 . . . . 1.0 112.447 173.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -69.62 -31.81 70.15 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 119.249 -2.157 . . . . 1.0 113.922 174.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.1 mm -61.8 -42.76 95.72 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 O-C-N 120.676 -1.265 . . . . 1.0 111.928 169.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -60.08 -45.94 91.21 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 121.007 -1.058 . . . . 1.0 112.515 171.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -62.12 -41.56 98.35 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 120.784 -1.197 . . . . 1.0 113.401 174.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.2 tp -62.88 -44.15 96.87 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 120.371 -1.456 . . . . 1.0 113.831 174.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -61.37 -44.19 97.58 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 119.971 -1.706 . . . . 1.0 113.314 171.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -60.76 -40.85 94.01 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 120.942 -1.099 . . . . 1.0 113.176 175.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.92 94.08 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 114.91 1.448 . . . . 1.0 114.91 174.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.0 mt -96.74 -6.35 36.49 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 120.644 -1.285 . . . . 1.0 112.349 -172.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -63.81 -43.66 77.01 Favored Pre-proline 0 C--N 1.351 0.652 0 N-CA-C 114.922 1.453 . . . . 1.0 114.922 174.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -60.19 -26.22 82.0 Favored 'Trans proline' 0 CA--C 1.516 -0.416 0 CA-C-N 124.158 2.521 . . . . 1.0 114.212 170.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -90.78 -0.24 75.54 Favored Glycine 0 C--N 1.348 1.204 0 C-N-CA 124.592 1.091 . . . . 1.0 113.971 174.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.95 28.27 73.73 Favored Glycine 0 C--N 1.347 1.163 0 N-CA-C 117.235 1.654 . . . . 1.0 117.235 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.481 ' CE1' ' O ' ' A' ' 10' ' ' GLN . 99.1 m-70 -130.31 17.41 5.46 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 121.242 -1.152 . . . . 1.0 113.621 -176.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -55.12 -40.45 70.52 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 126.78 2.032 . . . . 1.0 114.51 169.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -71.74 -14.74 62.1 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 126.979 2.112 . . . . 1.0 114.388 -170.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 79.4 mtp -62.05 -34.93 77.17 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 120.508 -1.37 . . . . 1.0 112.694 169.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.7 t -74.77 105.65 3.97 Favored 'Isoleucine or valine' 0 C--N 1.351 0.671 0 C-N-CA 124.049 0.94 . . . . 1.0 110.56 174.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -113.7 156.01 24.53 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 126.142 1.777 . . . . 1.0 110.791 -171.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 53.4 m -118.56 132.64 56.2 Favored 'General case' 0 CA--C 1.51 -0.576 0 O-C-N 121.233 -0.917 . . . . 1.0 111.159 -169.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 92.6 t -117.22 112.76 40.41 Favored 'Isoleucine or valine' 0 C--N 1.348 0.519 0 C-N-CA 125.055 1.342 . . . . 1.0 108.55 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.6 ttt85 -60.4 121.06 11.12 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 120.642 -1.286 . . . . 1.0 113.44 -175.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.65 -3.47 78.71 Favored Glycine 0 C--N 1.347 1.166 0 C-N-CA 125.199 1.381 . . . . 1.0 114.653 172.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 53.2 m -126.42 -33.78 2.54 Favored 'General case' 0 CA--C 1.515 -0.382 0 O-C-N 121.029 -1.277 . . . . 1.0 110.521 -178.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 147.84 -137.28 6.44 Favored Glycine 0 C--N 1.355 1.614 0 O-C-N 119.632 -1.917 . . . . 1.0 114.553 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -133.7 162.49 31.81 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 121.702 -0.881 . . . . 1.0 110.264 -172.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -143.41 142.94 31.42 Favored 'General case' 0 C--N 1.347 0.472 0 C-N-CA 124.953 1.301 . . . . 1.0 107.645 -174.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -113.29 124.82 53.39 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 107.098 -1.445 . . . . 1.0 107.098 176.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.7 t -126.38 132.68 51.49 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 120.613 -1.304 . . . . 1.0 113.324 -165.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.344 0.367 0 C-N-CA 126.557 1.943 . . . . 1.0 112.06 -175.562 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 N--CA 1.466 0.345 0 N-CA-C 117.802 2.519 . . . . 1.0 117.802 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.1 mt -107.35 118.21 54.64 Favored 'Isoleucine or valine' 0 C--N 1.345 0.38 0 N-CA-C 106.873 -1.529 . . . . 1.0 106.873 176.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -123.24 113.52 19.03 Favored 'General case' 0 C--N 1.345 0.404 0 O-C-N 121.301 -0.875 . . . . 1.0 109.423 -175.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 19.4 ptt? -158.67 148.05 19.12 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 121.169 -0.957 . . . . 1.0 110.997 174.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.449 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 24.6 mm100 57.28 35.8 26.54 Favored 'General case' 0 C--N 1.347 0.457 0 C-N-CA 126.915 2.086 . . . . 1.0 114.628 -178.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.72 6.17 88.4 Favored Glycine 0 C--N 1.349 1.268 0 O-C-N 120.556 -1.34 . . . . 1.0 114.375 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.0 tp -120.34 129.9 54.19 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 125.082 1.353 . . . . 1.0 109.025 -175.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 93.9 p -124.18 130.67 52.94 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 120.785 -1.197 . . . . 1.0 111.913 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 tt -126.78 125.62 42.02 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 120.853 -1.154 . . . . 1.0 109.885 -176.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -108.79 109.06 61.18 Favored Pre-proline 0 C--O 1.237 0.439 0 C-N-CA 124.699 1.2 . . . . 1.0 109.434 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -67.47 -25.83 41.17 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.78 2.32 . . . . 1.0 113.968 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.9 m -63.38 -45.81 89.39 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 124.23 1.012 . . . . 1.0 112.645 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.2 p -107.45 -4.6 18.32 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 120.872 -1.143 . . . . 1.0 114.004 -178.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.3 m170 64.04 44.67 4.51 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 125.731 1.612 . . . . 1.0 113.523 -172.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -111.41 130.02 55.83 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 120.932 -1.105 . . . . 1.0 111.012 -175.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.8 t -119.51 131.93 70.73 Favored 'Isoleucine or valine' 0 C--N 1.349 0.576 0 N-CA-C 108.445 -0.946 . . . . 1.0 108.445 176.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 70.8 mtp -130.77 150.38 51.98 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 120.642 -1.286 . . . . 1.0 110.693 175.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.24 108.87 17.86 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 105.969 -1.863 . . . . 1.0 105.969 168.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 55.95 -116.74 7.66 Favored Glycine 0 C--N 1.348 1.244 0 O-C-N 120.703 -1.248 . . . . 1.0 113.69 -164.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -105.38 19.43 20.6 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 123.864 0.866 . . . . 1.0 112.292 174.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -109.24 117.59 52.93 Favored Pre-proline 0 C--N 1.351 0.64 0 O-C-N 120.528 -1.358 . . . . 1.0 110.607 177.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.7 144.85 22.49 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.991 2.46 . . . . 1.0 112.963 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.2 mp -96.49 159.93 14.68 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 124.639 1.176 . . . . 1.0 111.414 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -123.96 119.48 29.69 Favored 'General case' 0 C--N 1.346 0.413 0 C-N-CA 125.425 1.49 . . . . 1.0 108.633 177.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.0 ptp -155.79 159.19 39.22 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 120.415 -1.428 . . . . 1.0 112.146 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.82 158.01 47.73 Favored Glycine 0 C--N 1.35 1.352 0 O-C-N 120.883 -1.136 . . . . 1.0 114.78 175.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -68.63 -30.73 27.79 Favored 'Trans proline' 0 C--N 1.323 -0.785 0 C-N-CA 123.318 2.679 . . . . 1.0 112.88 -177.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.1 m -67.29 -38.26 84.74 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-O 122.016 0.913 . . . . 1.0 110.954 173.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -41.9 95.2 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 125.125 1.37 . . . . 1.0 111.653 174.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -59.69 -46.35 89.35 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 121.104 -0.998 . . . . 1.0 112.699 173.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -62.45 -40.84 97.92 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 120.911 -1.118 . . . . 1.0 113.221 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.6 tp -65.17 -44.54 88.18 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 114.199 1.185 . . . . 1.0 114.199 170.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.4 tp -62.7 -41.55 99.18 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.364 -1.46 . . . . 1.0 113.049 177.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -59.34 -41.39 89.06 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 121.036 -1.04 . . . . 1.0 112.427 172.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -63.35 -45.9 89.08 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 121.131 -0.981 . . . . 1.0 113.082 175.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -63.89 -44.86 91.74 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 114.551 1.315 . . . . 1.0 114.551 175.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 92.6 mtp -64.67 -34.87 79.32 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.28 -1.513 . . . . 1.0 113.895 177.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.8 p -75.37 -16.73 60.35 Favored 'General case' 0 C--N 1.345 0.395 0 O-C-N 120.494 -1.379 . . . . 1.0 112.941 172.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -134.29 67.65 72.8 Favored Pre-proline 0 C--N 1.353 0.728 0 O-C-N 120.69 -1.256 . . . . 1.0 114.217 -178.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -79.05 160.47 26.86 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 123.276 2.651 . . . . 1.0 112.133 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 61.22 42.57 11.94 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 127.652 2.381 . . . . 1.0 113.203 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -148.88 134.3 18.52 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 120.886 -1.134 . . . . 1.0 110.233 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 20.0 t -85.95 130.38 36.56 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 O-C-N 120.634 -1.291 . . . . 1.0 110.554 176.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -121.37 127.02 50.81 Favored 'General case' 0 CA--C 1.502 -0.887 0 C-N-CA 125.631 1.572 . . . . 1.0 107.584 176.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.5 p -75.08 164.43 26.53 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 121.928 0.871 . . . . 1.0 111.739 172.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.6 mtt85 -60.74 -34.69 74.8 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 120.45 -1.406 . . . . 1.0 111.906 177.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -57.89 -45.0 87.05 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 114.147 1.165 . . . . 1.0 114.147 169.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -65.97 -42.59 89.69 Favored 'General case' 0 C--N 1.359 0.991 0 O-C-N 120.108 -1.62 . . . . 1.0 112.881 174.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.88 -39.99 93.83 Favored 'General case' 0 C--N 1.347 0.491 0 O-C-N 121.02 -1.05 . . . . 1.0 112.918 176.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.8 mt -59.53 -41.06 89.16 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.702 -1.249 . . . . 1.0 114.11 172.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -67.05 -48.34 68.57 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 120.081 -1.637 . . . . 1.0 113.106 170.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -68.35 -44.34 75.48 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 115.914 1.82 . . . . 1.0 115.914 -176.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.6 t -102.49 -36.37 4.39 Favored 'Isoleucine or valine' 0 C--N 1.347 0.473 0 O-C-N 121.142 -0.974 . . . . 1.0 111.703 -170.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 20.8 m-90 -98.22 -11.23 22.91 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 119.984 -1.698 . . . . 1.0 111.496 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.7 1.55 73.77 Favored Glycine 0 C--N 1.342 0.893 0 O-C-N 120.223 -1.548 . . . . 1.0 115.898 165.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . 0.346 0.5 OUTLIER 63.3 -24.73 0.06 Allowed 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 128.331 2.652 . . . . 1.0 117.018 -178.168 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -66.44 -42.27 87.9 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 119.26 -2.15 . . . . 1.0 111.262 168.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.4 t -61.14 136.43 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 C-N-CA 124.92 1.288 . . . . 1.0 111.782 171.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -118.45 120.26 37.03 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 123.156 1.455 . . . . 1.0 111.223 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.5 m -151.0 154.23 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 C-N-CA 126.343 1.857 . . . . 1.0 108.057 -177.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -62.67 151.19 38.9 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 124.935 1.294 . . . . 1.0 111.826 170.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -65.64 -17.55 64.68 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 120.321 -1.487 . . . . 1.0 113.505 -171.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -95.17 6.82 47.99 Favored 'General case' 0 N--CA 1.443 -0.79 0 O-C-N 120.674 -1.266 . . . . 1.0 114.031 -175.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 t -75.59 -18.75 59.63 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 119.312 -2.118 . . . . 1.0 111.008 162.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.6 t -62.27 -48.4 88.57 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 0 O-C-N 120.021 -1.675 . . . . 1.0 111.838 169.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.12 -44.07 87.53 Favored 'General case' 0 C--N 1.35 0.616 0 C-N-CA 126.018 1.727 . . . . 1.0 113.306 177.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 52.9 t -63.94 -44.39 97.95 Favored 'Isoleucine or valine' 0 C--N 1.346 0.424 0 C-N-CA 125.589 1.556 . . . . 1.0 112.42 175.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -66.91 -36.76 83.0 Favored 'General case' 0 C--N 1.344 0.356 0 O-C-N 119.868 -1.77 . . . . 1.0 113.683 175.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.6 mm -59.29 -41.45 84.14 Favored 'Isoleucine or valine' 0 C--N 1.348 0.523 0 O-C-N 120.621 -1.3 . . . . 1.0 112.071 170.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -43.62 95.89 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 120.258 -1.526 . . . . 1.0 113.279 172.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.8 -38.71 92.1 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 124.965 1.306 . . . . 1.0 113.47 175.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.5 tp -61.93 -42.74 99.45 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 124.844 1.258 . . . . 1.0 113.361 173.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -57.25 -45.74 83.69 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 120.311 -1.493 . . . . 1.0 114.156 170.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -61.66 -39.1 90.17 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.578 -1.326 . . . . 1.0 113.454 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.28 -38.82 88.14 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 114.52 1.304 . . . . 1.0 114.52 173.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 77.1 mt -94.97 -4.52 46.54 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 120.884 -1.135 . . . . 1.0 112.792 -174.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -63.16 -41.78 71.75 Favored Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 116.663 2.097 . . . . 1.0 116.663 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -56.79 -40.15 86.3 Favored 'Trans proline' 0 C--N 1.343 0.24 0 CA-C-N 124.907 2.788 . . . . 1.0 115.096 175.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -83.18 -2.6 90.46 Favored Glycine 0 C--N 1.348 1.204 0 N-CA-C 114.684 0.633 . . . . 1.0 114.684 174.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.17 10.2 86.31 Favored Glycine 0 C--N 1.35 1.311 0 O-C-N 120.838 -1.389 . . . . 1.0 115.229 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.449 ' CE1' ' O ' ' A' ' 10' ' ' GLN . 85.9 m-70 -96.58 0.19 49.65 Favored 'General case' 0 C--N 1.344 0.327 0 O-C-N 120.493 -1.592 . . . . 1.0 113.49 -170.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -57.72 -34.4 69.43 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 127.054 2.142 . . . . 1.0 115.048 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -88.86 4.49 47.63 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 124.912 1.285 . . . . 1.0 113.148 -166.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 52.8 mtm -89.32 -3.68 58.39 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 121.138 -0.976 . . . . 1.0 111.967 172.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.4 t -83.32 120.43 34.53 Favored 'Isoleucine or valine' 0 C--N 1.35 0.601 0 N-CA-C 108.132 -1.062 . . . . 1.0 108.132 168.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -108.78 148.16 30.96 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 124.651 1.18 . . . . 1.0 109.452 -174.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 49.7 m -119.53 123.96 45.26 Favored 'General case' 0 CA--C 1.498 -1.037 0 O-C-N 121.302 -0.874 . . . . 1.0 110.791 -173.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.7 t -108.47 108.46 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 C-N-CA 123.93 0.892 . . . . 1.0 108.85 -175.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 48.0 ttm-85 -64.34 120.1 11.57 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-O 122.312 1.053 . . . . 1.0 113.406 -172.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 84.67 2.88 88.59 Favored Glycine 0 CA--C 1.497 -1.051 0 O-C-N 120.801 -1.187 . . . . 1.0 113.795 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.0 m -127.21 -57.3 1.31 Allowed 'General case' 0 CA--C 1.505 -0.775 0 O-C-N 121.563 -0.963 . . . . 1.0 109.599 -176.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 159.36 -137.51 5.17 Favored Glycine 0 C--N 1.349 1.279 0 O-C-N 120.531 -1.356 . . . . 1.0 112.559 -173.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -136.27 161.95 34.33 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.615 0.722 . . . . 1.0 110.432 -170.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 47.3 ttt-85 -150.88 151.66 32.54 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 107.68 -1.23 . . . . 1.0 107.68 -169.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -127.67 147.39 50.38 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.058 -1.651 . . . . 1.0 108.83 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.7 t -149.52 147.42 28.17 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 119.971 -1.706 . . . . 1.0 112.363 178.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.8 p . . . . . 0 C--N 1.345 0.404 0 C-N-CA 125.126 1.371 . . . . 1.0 111.373 179.039 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 32.7 m . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 105.786 -1.931 . . . . 1.0 105.786 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.2 mt -104.05 110.61 30.81 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.454 0 O-C-N 120.015 -1.678 . . . . 1.0 107.972 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -116.27 125.15 51.79 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 121.639 0.733 . . . . 1.0 111.823 -176.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 13.2 ptp -157.83 145.69 18.68 Favored 'General case' 0 C--N 1.347 0.465 0 C-N-CA 124.051 0.94 . . . . 1.0 109.27 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 tm0? 59.51 28.08 17.39 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 120.207 -1.558 . . . . 1.0 114.631 171.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.16 6.12 87.49 Favored Glycine 0 C--N 1.352 1.456 0 O-C-N 119.28 -2.137 . . . . 1.0 114.933 -174.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.5 tp -117.54 137.08 52.81 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.789 1.636 . . . . 1.0 108.522 -176.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.4 t -137.07 131.86 33.35 Favored 'General case' 0 C--N 1.347 0.463 0 O-C-N 120.358 -1.464 . . . . 1.0 111.328 -178.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 tt -124.71 131.22 53.48 Favored 'General case' 0 C--N 1.345 0.39 0 C-N-CA 124.561 1.144 . . . . 1.0 110.401 -174.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -108.95 112.6 60.02 Favored Pre-proline 0 C--O 1.237 0.438 0 O-C-N 120.664 -1.273 . . . . 1.0 107.705 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -67.01 -32.54 34.67 Favored 'Trans proline' 0 CA--C 1.513 -0.533 0 C-N-CA 122.691 2.26 . . . . 1.0 113.618 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 64.6 m -68.47 -41.81 79.61 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.887 1.275 . . . . 1.0 111.311 -176.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.5 m -96.54 -4.33 41.53 Favored 'General case' 0 CA--C 1.508 -0.663 0 O-C-N 121.68 -0.637 . . . . 1.0 112.175 -176.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.9 m170 61.21 31.47 19.52 Favored 'General case' 0 C--N 1.35 0.593 0 C-N-CA 125.388 1.475 . . . . 1.0 113.499 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -122.11 135.92 54.85 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 120.96 -1.088 . . . . 1.0 112.88 -165.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 44.3 t -117.24 128.05 74.65 Favored 'Isoleucine or valine' 0 C--N 1.348 0.518 0 C-N-CA 124.263 1.025 . . . . 1.0 109.458 -178.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 89.7 mmm -114.68 135.15 54.47 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 125.891 1.677 . . . . 1.0 108.59 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.12 112.47 19.57 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 107.522 -1.288 . . . . 1.0 107.522 173.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.7 -111.11 3.22 Favored Glycine 0 C--N 1.347 1.178 0 O-C-N 120.585 -1.322 . . . . 1.0 113.32 -167.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -106.84 9.09 31.01 Favored 'General case' 0 C--N 1.347 0.457 0 C-N-CA 123.855 0.862 . . . . 1.0 112.528 175.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -114.06 128.42 25.8 Favored Pre-proline 0 C--N 1.351 0.655 0 O-C-N 120.756 -1.215 . . . . 1.0 112.105 -169.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -75.07 139.42 24.09 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 CA-C-N 123.156 2.163 . . . . 1.0 111.649 170.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.4 mt -121.27 155.55 34.42 Favored 'General case' 0 C--N 1.346 0.44 0 CA-C-O 121.84 0.829 . . . . 1.0 109.655 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -116.77 144.15 44.82 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 122.4 1.095 . . . . 1.0 112.875 -171.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -158.26 164.23 36.65 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.095 1.358 . . . . 1.0 107.588 174.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.36 174.47 54.43 Favored Glycine 0 C--N 1.35 1.323 0 O-C-N 121.147 -0.97 . . . . 1.0 113.621 174.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -73.7 -33.02 6.97 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 121.933 1.755 . . . . 1.0 112.907 -168.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 77.4 m -61.32 -42.32 98.48 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 120.388 1.449 . . . . 1.0 111.988 172.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -63.71 -42.04 98.0 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 120.809 -1.182 . . . . 1.0 112.435 172.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -61.27 -45.91 92.54 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.964 -1.085 . . . . 1.0 113.551 175.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -62.29 -42.1 99.06 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 120.213 -1.554 . . . . 1.0 112.946 176.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.2 tp -63.3 -43.11 98.8 Favored 'General case' 0 C--N 1.347 0.497 0 O-C-N 121.226 -0.921 . . . . 1.0 112.811 174.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.8 tp -63.34 -41.63 98.89 Favored 'General case' 0 C--N 1.346 0.453 0 O-C-N 120.785 -1.197 . . . . 1.0 113.685 174.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -59.78 -41.83 92.01 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 120.418 -1.426 . . . . 1.0 112.604 172.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -62.51 -45.95 90.65 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.964 -1.085 . . . . 1.0 112.682 173.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -63.27 -43.31 98.32 Favored 'General case' 0 C--N 1.347 0.471 0 N-CA-C 114.945 1.461 . . . . 1.0 114.945 174.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 95.0 mtp -74.76 -16.11 60.74 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 119.536 -1.978 . . . . 1.0 113.428 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.1 p -94.46 -0.22 54.89 Favored 'General case' 0 C--N 1.346 0.426 0 O-C-N 120.658 -1.276 . . . . 1.0 110.674 170.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -144.67 64.42 11.65 Favored Pre-proline 0 C--N 1.35 0.604 0 O-C-N 120.317 -1.489 . . . . 1.0 114.424 175.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.37 154.96 56.06 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.794 2.329 . . . . 1.0 113.228 173.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 62.72 39.71 10.78 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 127.926 2.49 . . . . 1.0 114.726 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -147.33 131.63 17.5 Favored 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 120.669 -1.269 . . . . 1.0 110.119 177.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.5 t -77.48 133.56 30.38 Favored 'Isoleucine or valine' 0 C--N 1.348 0.538 0 O-C-N 120.926 -1.109 . . . . 1.0 111.974 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -125.41 128.13 47.63 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 107.847 -1.168 . . . . 1.0 107.847 173.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 92.3 p -69.97 164.75 23.22 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 122.371 1.081 . . . . 1.0 112.595 170.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 73.2 mtt85 -59.84 -36.86 77.72 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 120.755 -1.216 . . . . 1.0 112.594 176.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -58.81 -44.58 90.85 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.929 -1.107 . . . . 1.0 113.904 169.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -67.66 -41.73 83.32 Favored 'General case' 0 C--N 1.359 1.005 0 O-C-N 120.444 -1.41 . . . . 1.0 112.452 177.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 97.0 mt -61.14 -41.84 97.46 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 120.858 -1.151 . . . . 1.0 113.055 174.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.4 mt -60.61 -47.01 88.12 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.735 -1.228 . . . . 1.0 113.456 171.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -65.7 -44.62 85.6 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 121.048 -1.032 . . . . 1.0 113.01 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -67.76 -44.28 77.88 Favored 'General case' 0 C--N 1.349 0.578 0 N-CA-C 114.907 1.447 . . . . 1.0 114.907 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 81.4 t -99.07 -63.0 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.682 0 O-C-N 120.548 -1.345 . . . . 1.0 111.766 -168.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 13.5 m-90 -67.39 -41.54 84.83 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 124.622 1.169 . . . . 1.0 112.74 -178.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.25 -169.43 13.64 Favored Glycine 0 C--N 1.348 1.235 0 CA-C-O 122.655 1.142 . . . . 1.0 114.21 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.8 p -102.65 -22.65 13.93 Favored 'General case' 0 C--N 1.344 0.351 0 O-C-N 121.122 -1.222 . . . . 1.0 111.794 -172.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -103.74 27.41 7.53 Favored 'General case' 0 C--N 1.346 0.426 0 O-C-N 120.128 -1.608 . . . . 1.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.2 t -116.46 137.37 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 C-N-CA 125.21 1.404 . . . . 1.0 108.129 177.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -124.26 9.17 8.55 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 122.891 1.329 . . . . 1.0 114.401 -152.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.2 m -57.82 148.83 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 127.388 2.275 . . . . 1.0 115.217 177.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -55.91 162.7 1.73 Allowed 'General case' 0 C--N 1.348 0.507 0 C-N-CA 126.186 1.794 . . . . 1.0 113.503 166.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -61.89 -32.12 72.47 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 119.936 -1.727 . . . . 1.0 112.525 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -95.03 8.56 42.53 Favored 'General case' 0 N--CA 1.443 -0.822 0 O-C-N 120.668 -1.27 . . . . 1.0 113.797 -160.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.9 t -75.77 -21.87 56.99 Favored 'General case' 0 C--N 1.352 0.684 0 O-C-N 120.204 -1.56 . . . . 1.0 111.203 159.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 38.8 t -63.31 -48.04 89.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 O-C-N 119.799 -1.813 . . . . 1.0 111.512 171.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.11 -43.16 91.89 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 126.094 1.758 . . . . 1.0 113.295 177.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 77.6 t -63.82 -44.64 98.23 Favored 'Isoleucine or valine' 0 C--N 1.349 0.55 0 C-N-CA 124.283 1.033 . . . . 1.0 112.29 173.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -65.98 -32.62 74.21 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 120.044 -1.66 . . . . 1.0 113.601 175.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.5 mm -62.16 -41.83 92.82 Favored 'Isoleucine or valine' 0 C--N 1.345 0.383 0 O-C-N 120.715 -1.241 . . . . 1.0 112.392 169.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -37.65 85.05 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 120.312 -1.492 . . . . 1.0 112.022 172.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . 0.285 95.8 mtt180 -67.46 -33.14 74.51 Favored 'General case' 0 CA--C 1.563 1.48 0 CA-C-N 119.77 1.168 . . . . 1.0 112.51 174.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . 0.265 38.9 tp -73.09 -33.54 65.67 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-N 119.849 1.204 . . . . 1.0 113.607 174.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -65.2 -40.35 94.07 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 119.715 1.143 . . . . 1.0 113.95 167.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -60.9 -42.83 98.8 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 120.771 -1.206 . . . . 1.0 112.57 174.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.19 -39.08 93.63 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 115.528 1.677 . . . . 1.0 115.528 174.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.1 mt -99.33 5.27 46.54 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 121.232 -0.918 . . . . 1.0 111.992 -174.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -57.29 -43.42 99.13 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-O 115.988 -1.958 . . . . 1.0 115.668 172.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -54.11 125.31 18.38 Favored 'Trans proline' 0 C--N 1.346 0.433 0 CA-C-N 124.846 2.767 . . . . 1.0 114.472 168.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.04 0.95 84.34 Favored Glycine 0 C--N 1.343 0.935 0 N-CA-C 115.442 0.937 . . . . 1.0 115.442 -176.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 73.49 39.64 49.64 Favored Glycine 0 C--N 1.349 1.301 0 O-C-N 120.767 -1.431 . . . . 1.0 116.371 173.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -102.87 -5.99 22.98 Favored 'General case' 0 C--N 1.348 0.543 0 O-C-N 121.003 -1.293 . . . . 1.0 112.505 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -53.21 -36.33 60.88 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 126.103 1.761 . . . . 1.0 114.731 170.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -67.72 -15.64 63.74 Favored 'General case' 0 C--N 1.345 0.374 0 N-CA-C 115.737 1.755 . . . . 1.0 115.737 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 84.1 mtp -61.63 -35.63 78.47 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 120.598 -1.314 . . . . 1.0 112.913 173.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.9 t -72.97 106.89 3.24 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 C-N-CA 124.406 1.082 . . . . 1.0 111.39 174.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -102.2 152.88 20.51 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.868 1.667 . . . . 1.0 110.763 -177.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.3 m -116.78 132.6 56.65 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-O 122.13 0.967 . . . . 1.0 110.068 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.9 t -114.38 105.2 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 C-N-CA 124.316 1.046 . . . . 1.0 108.382 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 66.6 ttt-85 -55.02 114.48 1.77 Allowed 'General case' 0 C--N 1.353 0.746 0 C-N-CA 125.634 1.574 . . . . 1.0 114.47 -174.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.25 -1.64 87.54 Favored Glycine 0 C--N 1.347 1.189 0 C-N-CA 124.49 1.043 . . . . 1.0 114.154 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 56.9 m -122.9 -44.83 2.18 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 118.684 1.242 . . . . 1.0 110.984 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 152.77 -136.07 5.2 Favored Glycine 0 C--N 1.35 1.324 0 O-C-N 119.531 -1.98 . . . . 1.0 113.797 -175.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -137.84 162.93 32.68 Favored 'General case' 0 C--N 1.344 0.355 0 O-C-N 121.435 -1.038 . . . . 1.0 111.167 -171.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -147.89 155.57 41.75 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 124.349 1.06 . . . . 1.0 108.772 -176.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -121.51 141.65 50.83 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 120.337 -1.477 . . . . 1.0 108.828 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.0 t -142.32 139.97 32.0 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.183 -1.573 . . . . 1.0 113.459 -174.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.0 p . . . . . 0 C--N 1.347 0.486 0 C-N-CA 126.325 1.85 . . . . 1.0 112.077 -176.36 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.7 t . . . . . 0 N--CA 1.46 0.037 0 CA-C-O 120.553 0.216 . . . . 1.0 111.365 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.6 mt -113.79 125.91 71.16 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 O-C-N 120.305 -1.497 . . . . 1.0 108.237 177.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -118.28 119.75 35.59 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 124.491 1.116 . . . . 1.0 110.688 176.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.1 ptp -150.56 142.82 24.2 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.59 -1.319 . . . . 1.0 110.344 169.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.422 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 24.6 mm100 51.82 35.62 15.93 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 116.266 1.95 . . . . 1.0 116.266 174.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.58 6.14 89.5 Favored Glycine 0 C--N 1.349 1.302 0 O-C-N 120.052 -1.655 . . . . 1.0 115.296 -177.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.6 tp -116.62 130.92 57.02 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 124.518 1.127 . . . . 1.0 109.002 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 90.3 p -128.73 135.57 49.39 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 120.988 -1.07 . . . . 1.0 112.533 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.6 tt -129.03 124.91 36.13 Favored 'General case' 0 C--N 1.344 0.345 0 O-C-N 120.82 -1.175 . . . . 1.0 109.602 -177.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -114.74 109.01 48.16 Favored Pre-proline 0 C--O 1.239 0.527 0 C-N-CA 125.815 1.646 . . . . 1.0 108.146 -177.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -63.08 -30.43 75.64 Favored 'Trans proline' 0 CA--C 1.51 -0.717 0 C-N-CA 123.029 2.486 . . . . 1.0 114.414 176.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.8 m -60.12 -44.46 94.88 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 119.632 1.105 . . . . 1.0 113.322 -173.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.3 m -104.63 -1.52 26.29 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 121.081 -1.012 . . . . 1.0 112.311 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.3 m170 71.66 39.82 0.84 Allowed 'General case' 0 CA--C 1.509 -0.615 0 C-N-CA 125.952 1.701 . . . . 1.0 110.333 174.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.8 ptt180 -123.09 136.67 54.9 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-O 122.471 1.129 . . . . 1.0 112.599 -166.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.0 t -113.87 135.55 53.16 Favored 'Isoleucine or valine' 0 C--N 1.346 0.433 0 N-CA-C 107.433 -1.321 . . . . 1.0 107.433 177.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 92.6 mtp -136.04 157.94 45.6 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 120.816 -1.177 . . . . 1.0 109.227 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.66 110.55 16.11 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 121.116 -0.99 . . . . 1.0 109.129 170.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.64 -108.4 1.96 Allowed Glycine 0 C--N 1.348 1.204 0 O-C-N 119.827 -1.796 . . . . 1.0 113.332 -168.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -113.32 14.65 19.29 Favored 'General case' 0 C--N 1.346 0.419 0 C-N-CA 123.692 0.797 . . . . 1.0 112.46 169.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -103.35 112.25 65.58 Favored Pre-proline 0 C--N 1.35 0.596 0 O-C-N 119.957 -1.714 . . . . 1.0 111.369 178.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -51.2 146.97 21.85 Favored 'Trans proline' 0 C--N 1.328 -0.547 0 C-N-CA 123.904 3.069 . . . . 1.0 118.383 167.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.6 mt -128.13 162.09 27.72 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.981 1.713 . . . . 1.0 108.515 172.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -131.02 139.74 50.01 Favored 'General case' 0 C--N 1.348 0.515 0 C-N-CA 124.493 1.117 . . . . 1.0 111.487 -171.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.0 ptp -162.55 161.61 26.92 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 120.783 -1.198 . . . . 1.0 111.531 175.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.98 170.12 52.18 Favored Glycine 0 C--N 1.349 1.269 0 O-C-N 119.501 -2.0 . . . . 1.0 114.086 170.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -70.62 -31.6 16.4 Favored 'Trans proline' 0 C--N 1.321 -0.887 0 C-N-CA 123.544 2.83 . . . . 1.0 112.326 -174.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.3 m -64.3 -40.05 95.17 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 119.825 1.193 . . . . 1.0 111.509 175.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.38 -42.41 92.73 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 125.352 1.461 . . . . 1.0 111.824 172.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -61.37 -45.89 92.48 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 120.883 -1.135 . . . . 1.0 113.445 176.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -61.65 -41.93 98.2 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 120.671 -1.268 . . . . 1.0 112.97 175.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.9 tp -62.95 -46.02 89.69 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 123.868 0.867 . . . . 1.0 112.85 173.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.4 tp -64.04 -40.63 96.73 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 120.724 -1.235 . . . . 1.0 113.534 177.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -60.91 -41.21 95.68 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.263 -1.523 . . . . 1.0 113.057 172.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -63.67 -44.21 94.43 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 120.614 -1.304 . . . . 1.0 112.487 173.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -62.38 -44.88 95.42 Favored 'General case' 0 C--N 1.344 0.35 0 N-CA-C 114.675 1.361 . . . . 1.0 114.675 173.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 90.2 mtp -75.05 -16.31 60.59 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 119.44 -2.037 . . . . 1.0 113.241 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.0 p -90.33 -5.36 56.32 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 120.401 -1.437 . . . . 1.0 111.121 170.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -142.81 67.52 18.39 Favored Pre-proline 0 C--N 1.354 0.763 0 N-CA-C 114.522 1.305 . . . . 1.0 114.522 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -76.63 143.96 24.61 Favored 'Trans proline' 0 C--N 1.331 -0.36 0 C-N-CA 123.008 2.472 . . . . 1.0 112.582 176.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 62.33 43.81 7.94 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 128.922 2.889 . . . . 1.0 113.887 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -134.28 118.69 17.83 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 107.308 -1.367 . . . . 1.0 107.308 177.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 19.5 t -68.26 132.34 32.83 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 O-C-N 119.565 -1.959 . . . . 1.0 112.202 177.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -125.86 127.06 45.47 Favored 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 107.051 -1.463 . . . . 1.0 107.051 174.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 93.8 p -59.59 157.69 11.23 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 124.691 1.197 . . . . 1.0 113.143 167.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 86.0 mtt85 -58.73 -35.73 73.17 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.242 -1.536 . . . . 1.0 112.392 172.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.41 -43.82 92.94 Favored 'General case' 0 C--N 1.352 0.694 0 N-CA-C 114.388 1.255 . . . . 1.0 114.388 168.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -64.2 -43.47 94.94 Favored 'General case' 0 C--N 1.36 1.054 0 O-C-N 119.601 -1.937 . . . . 1.0 111.851 174.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.25 -41.92 98.86 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 120.683 -1.261 . . . . 1.0 113.862 176.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.9 mt -60.75 -46.95 88.48 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.36 -1.463 . . . . 1.0 113.494 173.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -65.43 -45.12 85.11 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 121.006 -1.059 . . . . 1.0 113.709 176.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -73.01 -39.24 66.17 Favored 'General case' 0 C--N 1.347 0.489 0 N-CA-C 115.916 1.821 . . . . 1.0 115.916 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.1 t -97.56 -58.29 3.91 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 O-C-N 120.152 -1.593 . . . . 1.0 112.055 -171.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 13.7 m-90 -69.41 -44.41 71.46 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 121.142 -0.974 . . . . 1.0 111.472 178.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 134.62 157.52 8.13 Favored Glycine 0 C--N 1.344 1.002 0 CA-C-O 122.302 0.946 . . . . 1.0 111.53 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.5 p -64.89 -43.58 92.44 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 125.337 1.455 . . . . 1.0 114.347 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -103.52 -12.26 17.24 Favored 'General case' 0 C--N 1.347 0.476 0 C-N-CA 124.297 1.039 . . . . 1.0 111.332 -173.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.1 t -64.43 146.79 12.87 Favored 'Isoleucine or valine' 0 C--N 1.35 0.611 0 C-N-CA 125.681 1.592 . . . . 1.0 109.974 160.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -150.27 153.13 35.63 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 119.787 -1.821 . . . . 1.0 109.945 175.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 m -150.48 179.82 0.52 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 103.34 -2.837 . . . . 1.0 103.34 176.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -69.4 151.38 46.21 Favored 'General case' 0 N--CA 1.44 -0.934 0 O-C-N 120.291 -1.506 . . . . 1.0 110.149 169.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -57.24 -30.17 64.39 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 125.263 1.425 . . . . 1.0 112.231 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -89.27 9.77 24.69 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 114.794 1.405 . . . . 1.0 114.794 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.4 m -76.2 -20.3 57.61 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 119.43 -2.044 . . . . 1.0 110.848 165.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.7 t -63.76 -48.46 86.4 Favored 'Isoleucine or valine' 0 C--N 1.355 0.831 0 O-C-N 120.217 -1.552 . . . . 1.0 112.678 171.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.54 -42.47 87.91 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 126.101 1.76 . . . . 1.0 113.57 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 70.0 t -62.69 -43.84 98.96 Favored 'Isoleucine or valine' 0 C--N 1.348 0.52 0 C-N-CA 125.062 1.345 . . . . 1.0 112.221 174.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -66.93 -37.14 83.78 Favored 'General case' 0 C--N 1.347 0.489 0 O-C-N 120.273 -1.517 . . . . 1.0 114.432 175.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . 0.331 13.8 mm -51.72 -49.02 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.916 1.686 . . . . 1.0 113.038 169.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . 0.301 0.0 OUTLIER -50.7 -51.73 46.86 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 124.409 2.052 . . . . 1.0 112.612 171.465 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -56.55 -48.56 77.05 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 126.269 1.827 . . . . 1.0 112.849 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 38.2 tp -59.84 -46.15 90.18 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 120.139 -1.601 . . . . 1.0 113.06 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -58.53 -45.63 88.46 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 120.209 -1.557 . . . . 1.0 113.964 170.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.8 tptp -60.89 -39.35 88.96 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.452 -1.405 . . . . 1.0 113.513 176.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.28 -38.9 91.13 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 115.142 1.534 . . . . 1.0 115.142 173.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.7 mt -95.22 -4.33 46.04 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.21 -1.556 . . . . 1.0 111.721 -174.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -59.59 -45.44 98.68 Favored Pre-proline 0 C--N 1.35 0.612 0 N-CA-C 115.968 1.84 . . . . 1.0 115.968 176.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -70.46 -21.08 30.73 Favored 'Trans proline' 0 CA--C 1.515 -0.434 0 CA-C-N 125.851 3.125 . . . . 1.0 111.285 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -84.76 -7.78 83.68 Favored Glycine 0 C--N 1.346 1.131 0 C-N-CA 123.481 0.562 . . . . 1.0 114.132 170.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.12 11.57 84.75 Favored Glycine 0 C--N 1.352 1.448 0 CA-C-N 119.136 1.468 . . . . 1.0 115.2 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.422 ' CE1' ' O ' ' A' ' 10' ' ' GLN . 98.3 m-70 -112.89 12.76 19.49 Favored 'General case' 0 C--N 1.344 0.342 0 O-C-N 120.903 -1.351 . . . . 1.0 112.787 -169.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -58.44 -32.02 68.3 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 126.015 1.726 . . . . 1.0 113.867 168.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -54.07 -31.36 51.44 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 127.761 2.424 . . . . 1.0 115.83 -177.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 75.0 mtp -61.56 -35.3 77.41 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 125.506 1.523 . . . . 1.0 114.836 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 32.0 t -75.99 97.99 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.494 0 C-N-CA 124.381 1.073 . . . . 1.0 110.471 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -97.16 158.97 15.18 Favored 'General case' 0 N--CA 1.444 -0.741 0 O-C-N 120.695 -1.253 . . . . 1.0 110.798 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 56.2 m -115.17 133.43 56.05 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 108.374 -0.973 . . . . 1.0 108.374 -177.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.9 t -111.49 104.01 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 N-CA-C 107.016 -1.476 . . . . 1.0 107.016 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -57.26 128.44 37.02 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 125.201 1.401 . . . . 1.0 113.12 -176.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.82 1.99 90.63 Favored Glycine 0 C--N 1.348 1.235 0 C-N-CA 125.171 1.367 . . . . 1.0 114.065 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 40.4 m -134.95 -61.86 0.74 Allowed 'General case' 0 CA--C 1.508 -0.66 0 O-C-N 121.432 -1.04 . . . . 1.0 110.705 -175.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 163.97 -128.36 1.81 Allowed Glycine 0 CA--C 1.496 -1.114 0 O-C-N 120.223 -1.548 . . . . 1.0 112.146 -170.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -141.78 155.58 45.6 Favored 'General case' 0 C--N 1.346 0.436 0 O-C-N 121.201 -1.176 . . . . 1.0 111.21 -167.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -139.21 134.67 33.03 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 125.073 1.349 . . . . 1.0 108.817 -172.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -110.08 121.57 45.56 Favored 'General case' 0 CA--C 1.509 -0.625 0 O-C-N 120.215 -1.553 . . . . 1.0 108.507 -177.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.9 t -119.15 140.35 50.3 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 123.145 1.45 . . . . 1.0 114.242 -163.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.347 0.491 0 C-N-CA 126.082 1.753 . . . . 1.0 111.861 177.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.7 t . . . . . 0 C--O 1.234 0.256 0 CA-C-O 121.15 0.5 . . . . 1.0 111.766 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.3 mt -113.99 127.37 71.42 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.48 0 N-CA-C 106.475 -1.676 . . . . 1.0 106.475 174.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -132.36 122.71 25.47 Favored 'General case' 0 C--N 1.346 0.448 0 O-C-N 120.984 -1.072 . . . . 1.0 109.91 177.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -151.78 140.81 21.16 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 121.174 -0.954 . . . . 1.0 109.824 179.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 61.23 21.59 12.03 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 125.769 1.627 . . . . 1.0 115.008 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.44 0.36 88.99 Favored Glycine 0 C--N 1.352 1.428 0 O-C-N 120.58 -1.325 . . . . 1.0 115.071 -171.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.9 tp -99.68 128.08 45.79 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.301 1.44 . . . . 1.0 108.141 177.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.8 p -125.44 144.76 50.38 Favored 'General case' 0 CA--C 1.512 -0.507 0 O-C-N 120.794 -1.191 . . . . 1.0 111.802 -177.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.8 tt -139.21 128.43 24.01 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 124.217 1.007 . . . . 1.0 109.409 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -110.6 113.83 55.39 Favored Pre-proline 0 C--N 1.348 0.509 0 N-CA-C 107.419 -1.326 . . . . 1.0 107.419 176.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -71.09 -21.41 27.45 Favored 'Trans proline' 0 CA--C 1.51 -0.701 0 C-N-CA 122.651 2.234 . . . . 1.0 112.9 -176.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.7 m -85.18 -44.4 12.97 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-N 118.9 0.773 . . . . 1.0 110.291 -175.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.9 m -77.89 -15.33 59.11 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 120.793 -1.192 . . . . 1.0 112.793 174.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.9 m170 67.78 37.08 3.3 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 125.223 1.409 . . . . 1.0 111.52 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -118.78 133.82 55.58 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.389 1.076 . . . . 1.0 109.84 -164.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.1 t -121.18 132.77 69.76 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 N-CA-C 107.902 -1.148 . . . . 1.0 107.902 175.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 72.1 mtp -132.77 153.79 50.88 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 121.109 -0.995 . . . . 1.0 111.016 176.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -128.01 124.64 37.67 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 107.263 -1.384 . . . . 1.0 107.263 170.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.96 -113.86 4.79 Favored Glycine 0 C--N 1.352 1.47 0 O-C-N 121.416 -0.803 . . . . 1.0 112.897 -169.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -103.73 3.07 33.76 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.879 1.271 . . . . 1.0 113.716 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -123.81 139.65 32.79 Favored Pre-proline 0 C--N 1.357 0.911 0 O-C-N 120.507 -1.371 . . . . 1.0 113.39 -171.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -70.89 162.92 40.99 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 123.437 2.758 . . . . 1.0 113.816 173.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.6 mt -124.48 163.06 22.62 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-O 122.44 1.114 . . . . 1.0 111.19 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -117.36 121.83 42.19 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 120.744 -1.223 . . . . 1.0 112.028 -170.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.7 ptp -160.26 163.51 33.4 Favored 'General case' 0 N--CA 1.445 -0.697 0 O-C-N 121.544 -0.723 . . . . 1.0 109.44 176.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -85.66 177.49 49.9 Favored Glycine 0 C--N 1.352 1.452 0 O-C-N 121.304 -0.873 . . . . 1.0 112.929 177.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -72.21 -31.59 11.68 Favored 'Trans proline' 0 C--N 1.326 -0.623 0 C-N-CA 122.564 2.176 . . . . 1.0 112.689 -173.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.3 m -64.85 -43.26 93.58 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.745 1.157 . . . . 1.0 112.115 172.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -63.03 -41.49 99.54 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 120.568 -1.333 . . . . 1.0 112.709 172.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -60.38 -44.56 95.51 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 121.081 -1.012 . . . . 1.0 112.625 175.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -62.46 -42.89 99.79 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.844 -1.16 . . . . 1.0 112.839 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.2 tp -63.62 -45.16 91.54 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 124.868 1.267 . . . . 1.0 113.543 172.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.2 tp -63.85 -40.76 97.33 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 120.383 -1.448 . . . . 1.0 113.21 176.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.4 t-160 -61.01 -41.29 96.27 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.505 -1.372 . . . . 1.0 112.87 173.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -61.41 -46.0 91.97 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 120.956 -1.09 . . . . 1.0 111.987 170.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -61.8 -43.5 98.73 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 120.326 -1.484 . . . . 1.0 114.901 175.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 96.9 mtp -75.34 -16.44 60.4 Favored 'General case' 0 C--N 1.346 0.416 0 O-C-N 119.598 -1.938 . . . . 1.0 113.405 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.5 p -95.58 -1.86 49.56 Favored 'General case' 0 C--N 1.347 0.473 0 O-C-N 120.732 -1.23 . . . . 1.0 110.918 169.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -141.47 61.01 12.75 Favored Pre-proline 0 C--N 1.349 0.555 0 O-C-N 120.556 -1.34 . . . . 1.0 113.637 175.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -77.41 149.32 27.41 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 122.676 2.251 . . . . 1.0 111.617 177.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . 0.298 20.7 mm-40 81.53 32.21 0.12 Allowed 'General case' 0 C--N 1.344 0.365 0 C-N-CA 126.598 1.959 . . . . 1.0 114.752 168.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -142.27 141.39 32.44 Favored 'General case' 0 C--N 1.346 0.452 0 O-C-N 121.201 -0.937 . . . . 1.0 110.187 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.6 t -84.34 132.41 31.64 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 CA-C-O 122.352 1.072 . . . . 1.0 110.988 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -124.95 130.15 51.78 Favored 'General case' 0 CA--C 1.51 -0.569 0 C-N-CA 124.924 1.29 . . . . 1.0 108.425 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 84.7 p -66.57 160.52 25.09 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 123.58 0.752 . . . . 1.0 110.739 168.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -59.77 -36.82 77.47 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 120.128 -1.608 . . . . 1.0 112.098 175.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 -60.08 -42.1 93.89 Favored 'General case' 0 C--N 1.347 0.462 0 N-CA-C 114.504 1.298 . . . . 1.0 114.504 170.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -64.45 -41.29 96.61 Favored 'General case' 0 C--N 1.362 1.111 0 O-C-N 119.626 -1.921 . . . . 1.0 111.727 174.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.88 -41.01 97.36 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.698 -1.251 . . . . 1.0 113.573 172.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.4 mt -60.3 -47.08 87.56 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.321 -1.487 . . . . 1.0 113.12 171.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -62.91 -45.51 92.16 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 121.152 -0.968 . . . . 1.0 113.442 177.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -70.62 -34.9 72.62 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 115.927 1.825 . . . . 1.0 115.927 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.7 t -109.25 -72.49 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.457 0 O-C-N 121.065 -1.022 . . . . 1.0 110.943 -171.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 8.3 m-90 -61.06 -37.35 82.35 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 125.685 1.594 . . . . 1.0 114.864 -173.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 141.18 148.37 5.07 Favored Glycine 0 C--N 1.345 1.052 0 CA-C-O 122.418 1.01 . . . . 1.0 112.546 177.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.0 p -72.39 -17.15 61.84 Favored 'General case' 0 CA--C 1.516 -0.34 0 O-C-N 120.401 -1.646 . . . . 1.0 113.92 -178.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -115.94 11.28 15.41 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.731 -1.231 . . . . 1.0 110.879 177.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.3 p -61.32 146.15 12.1 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 O-C-N 120.285 -1.509 . . . . 1.0 114.028 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -114.0 5.81 16.25 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 122.376 1.084 . . . . 1.0 112.391 -161.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 31.0 m -76.03 160.6 4.97 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 CA-C-O 123.121 1.439 . . . . 1.0 113.344 -176.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -76.13 150.17 37.24 Favored 'General case' 0 N--CA 1.434 -1.242 0 O-C-N 120.866 -1.146 . . . . 1.0 110.159 172.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.66 -29.96 66.98 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.198 1.799 . . . . 1.0 110.92 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -72.86 -7.52 51.23 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 114.957 1.465 . . . . 1.0 114.957 177.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 50.8 m -70.03 -26.17 63.91 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 119.449 -2.032 . . . . 1.0 111.824 165.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.6 t -63.26 -45.74 97.55 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 O-C-N 120.254 -1.529 . . . . 1.0 111.897 169.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -56.33 -44.17 79.74 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 124.871 1.268 . . . . 1.0 113.064 -179.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 88.1 t -64.35 -44.69 97.24 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 C-N-CA 125.236 1.414 . . . . 1.0 112.983 176.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -72.47 -30.89 64.96 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 119.672 -1.893 . . . . 1.0 113.269 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 11.1 mm -61.34 -42.98 95.72 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 O-C-N 120.482 -1.386 . . . . 1.0 111.707 168.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.59 -45.63 93.3 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 121.025 -1.047 . . . . 1.0 112.256 175.181 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 45.5 mtt-85 -59.56 -42.41 92.36 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 114.869 1.433 . . . . 1.0 114.869 170.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 45.6 tp -62.33 -42.9 99.76 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.841 -1.162 . . . . 1.0 113.216 175.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -60.26 -44.49 95.25 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 119.904 -1.747 . . . . 1.0 113.883 170.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -61.56 -35.35 77.52 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-O 122.567 1.175 . . . . 1.0 113.302 175.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.32 -39.7 93.92 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 114.837 1.421 . . . . 1.0 114.837 171.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.5 mt -96.94 -7.37 33.37 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.639 -1.288 . . . . 1.0 111.624 -173.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.14 -46.17 97.87 Favored Pre-proline 0 C--N 1.349 0.565 0 N-CA-C 116.436 2.013 . . . . 1.0 116.436 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -76.98 -14.72 16.88 Favored 'Trans proline' 0 CA--C 1.518 -0.324 0 CA-C-N 125.747 3.088 . . . . 1.0 110.509 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -85.54 -2.9 86.88 Favored Glycine 0 C--N 1.348 1.208 0 C-N-CA 125.244 1.402 . . . . 1.0 113.788 169.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.6 8.99 87.42 Favored Glycine 0 C--N 1.35 1.342 0 CA-C-N 118.669 1.235 . . . . 1.0 115.737 177.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -118.9 18.61 13.23 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 120.681 -1.482 . . . . 1.0 114.889 -167.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 48.2 p-10 -54.37 -33.2 58.65 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.964 1.306 . . . . 1.0 113.792 162.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -55.32 -35.54 65.26 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 127.838 2.455 . . . . 1.0 114.495 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 60.7 mtp -60.57 -37.53 81.58 Favored 'General case' 0 C--N 1.346 0.446 0 N-CA-C 113.975 1.102 . . . . 1.0 113.975 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 38.3 t -81.46 98.08 3.94 Favored 'Isoleucine or valine' 0 C--N 1.346 0.429 0 C-N-CA 124.243 1.017 . . . . 1.0 109.984 176.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -96.06 155.97 16.53 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.309 1.444 . . . . 1.0 111.417 -175.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.1 m -110.36 138.73 46.35 Favored 'General case' 0 CA--C 1.502 -0.897 0 C-N-CA 124.371 1.068 . . . . 1.0 108.665 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 46.9 t -119.99 103.78 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 108.287 -1.005 . . . . 1.0 108.287 173.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 71.6 ttt-85 -53.01 124.28 13.85 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 125.616 1.566 . . . . 1.0 114.342 -178.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.33 3.15 90.65 Favored Glycine 0 C--N 1.351 1.375 0 C-N-CA 125.414 1.483 . . . . 1.0 114.516 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 69.3 m -135.09 -59.65 0.78 Allowed 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 121.522 -0.987 . . . . 1.0 110.904 -172.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 165.51 -133.9 3.12 Favored Glycine 0 C--N 1.35 1.331 0 O-C-N 119.87 -1.769 . . . . 1.0 113.624 -173.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -141.01 165.75 26.7 Favored 'General case' 0 C--N 1.345 0.374 0 O-C-N 121.756 -0.849 . . . . 1.0 110.348 -172.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -146.29 149.76 34.47 Favored 'General case' 0 C--N 1.347 0.483 0 O-C-N 120.937 -1.102 . . . . 1.0 108.397 -178.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -109.97 139.29 45.23 Favored 'General case' 0 C--N 1.349 0.575 0 N-CA-C 107.602 -1.258 . . . . 1.0 107.602 171.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.8 t -144.6 147.93 33.73 Favored 'General case' 0 CA--C 1.506 -0.747 0 O-C-N 120.409 -1.432 . . . . 1.0 112.864 -171.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 38.6 p . . . . . 0 CA--C 1.511 -0.554 0 C-N-CA 126.512 1.925 . . . . 1.0 111.028 -177.526 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.7 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 104.822 -2.288 . . . . 1.0 104.822 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.2 mt -128.53 120.0 51.62 Favored 'Isoleucine or valine' 0 C--N 1.345 0.406 0 N-CA-C 106.776 -1.565 . . . . 1.0 106.776 162.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -109.42 110.4 21.52 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 107.703 -1.221 . . . . 1.0 107.703 169.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 55.8 ttp -143.77 119.12 10.24 Favored 'General case' 0 N--CA 1.449 -0.478 0 O-C-N 120.465 -1.397 . . . . 1.0 111.068 -173.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 54.96 45.6 26.09 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 116.464 2.024 . . . . 1.0 116.464 174.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.9 6.07 88.74 Favored Glycine 0 C--N 1.346 1.096 0 O-C-N 120.81 -1.181 . . . . 1.0 113.437 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.9 tp -122.83 126.68 47.86 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 124.177 0.991 . . . . 1.0 109.158 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.3 p -122.39 126.48 48.07 Favored 'General case' 0 CA--C 1.51 -0.569 0 O-C-N 120.421 -1.424 . . . . 1.0 111.739 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.9 tt -124.91 137.37 54.28 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 125.213 1.405 . . . . 1.0 109.5 -174.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -120.64 117.13 31.48 Favored Pre-proline 0 N--CA 1.449 -0.512 0 N-CA-C 107.759 -1.2 . . . . 1.0 107.759 176.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_exo -64.66 -32.59 57.41 Favored 'Trans proline' 0 CA--C 1.513 -0.538 0 C-N-CA 122.855 2.37 . . . . 1.0 113.901 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.5 m -70.41 -47.92 58.54 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 118.79 0.723 . . . . 1.0 111.561 -174.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.7 p -87.98 -15.03 37.59 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 120.312 -1.492 . . . . 1.0 112.509 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.2 m170 66.09 28.86 10.19 Favored 'General case' 0 C--N 1.35 0.616 0 C-N-CA 126.674 1.99 . . . . 1.0 113.009 -172.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -97.9 132.41 43.51 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 121.117 -0.989 . . . . 1.0 111.068 -173.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 50.5 t -119.49 126.25 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 C-N-CA 124.875 1.27 . . . . 1.0 107.611 177.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.4 mtp -126.6 146.71 50.05 Favored 'General case' 0 N--CA 1.448 -0.526 0 O-C-N 120.8 -1.188 . . . . 1.0 109.905 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.17 108.33 16.82 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.454 -0.943 . . . . 1.0 108.454 171.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.89 -105.54 0.87 Allowed Glycine 0 C--N 1.349 1.288 0 O-C-N 121.186 -0.946 . . . . 1.0 112.47 -165.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -110.44 4.42 20.55 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.993 1.317 . . . . 1.0 111.576 177.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -98.62 117.14 64.99 Favored Pre-proline 0 C--N 1.35 0.611 0 O-C-N 119.889 -1.757 . . . . 1.0 111.684 -175.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -76.83 139.79 20.03 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 CA-C-N 123.864 2.416 . . . . 1.0 112.004 175.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.4 mt -112.74 166.71 11.11 Favored 'General case' 0 C--N 1.346 0.448 0 C-N-CA 124.98 1.312 . . . . 1.0 110.86 -174.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -128.23 138.35 52.41 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 114.275 1.213 . . . . 1.0 114.275 -175.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 21.6 ptp -162.19 163.22 28.45 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 120.929 -1.107 . . . . 1.0 110.737 177.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.63 175.81 53.42 Favored Glycine 0 C--N 1.35 1.307 0 O-C-N 121.025 -1.047 . . . . 1.0 112.654 171.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -73.69 -33.16 6.84 Favored 'Trans proline' 0 C--N 1.325 -0.686 0 C-N-CA 122.29 1.993 . . . . 1.0 112.555 -168.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.3 m -67.2 -36.55 81.97 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 120.353 1.433 . . . . 1.0 111.692 176.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.03 -41.89 97.27 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.275 -1.516 . . . . 1.0 111.994 170.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -61.18 -44.95 96.49 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 121.12 -0.988 . . . . 1.0 112.707 174.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -60.15 -42.84 95.73 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.803 -1.186 . . . . 1.0 113.178 174.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.7 tp -65.12 -45.73 83.88 Favored 'General case' 0 C--N 1.35 0.615 0 N-CA-C 113.567 0.951 . . . . 1.0 113.567 175.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.9 tp -63.64 -42.73 98.1 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.815 -1.178 . . . . 1.0 112.726 176.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -61.04 -41.56 96.82 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.801 -1.187 . . . . 1.0 113.083 175.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -63.16 -46.24 88.1 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 121.303 -0.873 . . . . 1.0 112.692 172.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -63.24 -41.25 99.07 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 120.188 -1.57 . . . . 1.0 114.831 175.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 85.1 mtp -63.95 -33.05 74.84 Favored 'General case' 0 C--N 1.346 0.446 0 O-C-N 120.205 -1.559 . . . . 1.0 114.55 175.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.8 p -79.53 -13.43 59.55 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 120.338 -1.476 . . . . 1.0 112.934 172.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -129.96 65.21 74.73 Favored Pre-proline 0 C--N 1.352 0.678 0 O-C-N 120.564 -1.335 . . . . 1.0 114.016 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -76.09 149.83 32.89 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.964 2.443 . . . . 1.0 112.218 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 63.57 42.12 6.74 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 127.273 2.229 . . . . 1.0 115.213 173.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -146.64 137.31 23.95 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 120.815 -1.178 . . . . 1.0 108.152 174.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.9 t -89.52 127.09 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-O 122.587 1.184 . . . . 1.0 110.854 -176.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -115.49 128.74 56.22 Favored 'General case' 0 CA--C 1.502 -0.882 0 C-N-CA 125.379 1.471 . . . . 1.0 107.221 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 42.4 p -64.86 161.5 18.16 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 123.876 0.87 . . . . 1.0 111.575 171.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -60.43 -37.08 79.77 Favored 'General case' 0 C--N 1.346 0.439 0 O-C-N 120.277 -1.515 . . . . 1.0 111.915 174.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -60.0 -43.44 95.19 Favored 'General case' 0 C--N 1.348 0.523 0 N-CA-C 114.33 1.233 . . . . 1.0 114.33 170.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -64.38 -41.62 96.59 Favored 'General case' 0 C--N 1.362 1.122 0 O-C-N 119.594 -1.941 . . . . 1.0 112.007 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.39 -42.17 98.29 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.794 -1.191 . . . . 1.0 112.743 173.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 72.3 mt -59.75 -40.26 87.52 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.514 -1.366 . . . . 1.0 113.832 171.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -63.37 -48.48 77.74 Favored 'General case' 0 C--N 1.348 0.536 0 O-C-N 120.376 -1.452 . . . . 1.0 113.029 173.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -78.26 -39.99 38.46 Favored 'General case' 0 C--N 1.345 0.375 0 N-CA-C 115.86 1.8 . . . . 1.0 115.86 -175.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 73.5 t -106.33 -29.51 2.7 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 O-C-N 120.377 -1.452 . . . . 1.0 112.051 -167.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 9.8 m-90 -100.62 -13.98 18.34 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 120.378 -1.451 . . . . 1.0 110.252 177.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.37 22.68 28.72 Favored Glycine 0 C--N 1.346 1.108 0 O-C-N 120.53 -1.356 . . . . 1.0 114.686 166.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.5 m 79.52 -47.76 0.37 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.479 1.512 . . . . 1.0 113.321 168.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -91.04 34.65 0.92 Allowed 'General case' 0 C--N 1.345 0.385 0 C-N-CA 125.891 1.676 . . . . 1.0 111.685 -174.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 77.6 t -125.65 133.73 68.42 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.846 0 N-CA-C 105.338 -2.097 . . . . 1.0 105.338 174.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -118.41 6.09 11.8 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 122.679 1.228 . . . . 1.0 113.837 -148.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.2 m -41.18 157.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 130.419 3.488 . . . . 1.0 116.506 172.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -58.56 162.93 3.48 Favored 'General case' 0 C--N 1.347 0.46 0 O-C-N 120.737 -1.227 . . . . 1.0 113.617 164.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -57.96 -32.6 68.01 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.633 -1.292 . . . . 1.0 113.255 173.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -91.96 0.44 57.47 Favored 'General case' 0 N--CA 1.447 -0.624 0 O-C-N 120.221 -1.549 . . . . 1.0 114.573 -160.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.2 t -73.21 -21.19 60.71 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 119.967 -1.708 . . . . 1.0 110.979 164.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.6 t -63.14 -47.5 92.13 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 O-C-N 120.077 -1.64 . . . . 1.0 111.706 168.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.78 -44.39 90.69 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 126.103 1.761 . . . . 1.0 112.828 176.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 69.5 t -63.76 -43.12 97.87 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 C-N-CA 124.546 1.139 . . . . 1.0 112.84 173.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -66.09 -36.04 82.12 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 119.738 -1.851 . . . . 1.0 113.53 174.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.5 mm -60.28 -41.45 87.08 Favored 'Isoleucine or valine' 0 C--N 1.348 0.515 0 O-C-N 120.27 -1.519 . . . . 1.0 112.723 170.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -60.45 -45.03 95.17 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 120.511 -1.368 . . . . 1.0 112.609 171.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -62.07 -39.35 92.11 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.684 -1.26 . . . . 1.0 113.798 174.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.5 tp -64.16 -45.13 89.8 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 124.713 1.205 . . . . 1.0 113.974 173.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -59.86 -43.19 94.8 Favored 'General case' 0 C--N 1.355 0.804 0 O-C-N 119.813 -1.804 . . . . 1.0 113.721 171.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -59.79 -41.66 91.64 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 121.031 -1.043 . . . . 1.0 113.004 173.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.4 93.61 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 115.144 1.535 . . . . 1.0 115.144 174.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.9 mt -97.99 0.63 46.71 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 121.045 -1.034 . . . . 1.0 112.251 -173.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -61.31 -45.87 95.09 Favored Pre-proline 0 CA--C 1.538 0.5 0 CA-C-O 117.055 -1.45 . . . . 1.0 114.891 172.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -56.94 124.15 15.57 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 CA-C-N 125.369 2.953 . . . . 1.0 112.57 159.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.36 -0.27 89.16 Favored Glycine 0 C--N 1.342 0.916 0 C-N-CA 125.899 1.714 . . . . 1.0 115.334 -172.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 69.3 39.37 81.75 Favored Glycine 0 C--N 1.349 1.303 0 N-CA-C 117.622 1.809 . . . . 1.0 117.622 167.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -109.74 4.45 21.86 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 119.44 1.62 . . . . 1.0 113.011 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -54.7 -33.18 60.59 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.447 -1.408 . . . . 1.0 114.117 167.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -58.64 -27.42 64.73 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 116.764 2.135 . . . . 1.0 116.764 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 59.1 mtp -66.85 -35.84 80.96 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 125.026 1.33 . . . . 1.0 113.88 176.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.8 t -78.36 100.1 3.22 Favored 'Isoleucine or valine' 0 C--N 1.349 0.563 0 C-N-CA 126.234 1.814 . . . . 1.0 110.975 -176.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -121.69 153.08 38.65 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 120.349 -1.469 . . . . 1.0 112.417 -166.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 66.6 m -113.94 134.87 54.55 Favored 'General case' 0 CA--C 1.505 -0.76 0 C-N-CA 124.173 0.989 . . . . 1.0 111.256 -168.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.4 t -114.18 106.92 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 C-N-CA 124.819 1.248 . . . . 1.0 107.992 177.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.6 ttt85 -60.31 129.05 39.75 Favored 'General case' 0 C--N 1.346 0.451 0 C-N-CA 125.431 1.493 . . . . 1.0 113.34 -176.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.13 2.77 90.63 Favored Glycine 0 C--N 1.348 1.236 0 O-C-N 121.091 -1.006 . . . . 1.0 114.072 -178.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 85.7 m -133.49 -63.77 0.74 Allowed 'General case' 0 C--N 1.349 0.559 0 O-C-N 121.152 -1.205 . . . . 1.0 110.334 -176.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 161.85 -130.13 2.24 Favored Glycine 0 C--N 1.347 1.176 0 O-C-N 120.434 -1.416 . . . . 1.0 111.946 -170.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -141.03 160.87 39.15 Favored 'General case' 0 C--N 1.346 0.452 0 O-C-N 121.239 -1.153 . . . . 1.0 112.102 -166.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -144.11 153.0 41.69 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 125.978 1.711 . . . . 1.0 108.466 -173.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -121.7 132.01 54.4 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.393 -1.442 . . . . 1.0 108.186 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.3 t -125.57 141.95 51.76 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.356 -1.465 . . . . 1.0 114.352 -171.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.7 p . . . . . 0 C--N 1.352 0.678 0 C-N-CA 126.833 2.053 . . . . 1.0 112.095 -178.748 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 C--O 1.235 0.308 0 CA-C-O 122.452 1.12 . . . . 1.0 113.465 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.1 mt -104.46 123.61 58.47 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.39 0 N-CA-C 107.004 -1.48 . . . . 1.0 107.004 -178.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -123.13 124.08 42.26 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 121.325 -0.859 . . . . 1.0 111.335 -171.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 36.2 mtt -140.59 117.69 11.23 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.235 1.014 . . . . 1.0 110.918 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 53.19 44.08 30.72 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 115.162 1.542 . . . . 1.0 115.162 169.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.96 -1.21 85.37 Favored Glycine 0 C--N 1.35 1.343 0 O-C-N 120.443 -1.41 . . . . 1.0 116.029 -175.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.0 tp -105.66 127.59 53.15 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 120.711 -1.464 . . . . 1.0 108.272 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.0 p -127.49 129.56 47.64 Favored 'General case' 0 C--N 1.344 0.355 0 O-C-N 120.749 -1.219 . . . . 1.0 111.621 -177.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 tt -122.51 129.17 51.69 Favored 'General case' 0 CA--C 1.511 -0.53 0 C-N-CA 124.949 1.3 . . . . 1.0 109.27 -176.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -109.44 113.15 58.6 Favored Pre-proline 0 N--CA 1.448 -0.569 0 N-CA-C 107.515 -1.291 . . . . 1.0 107.515 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -66.21 -30.06 46.52 Favored 'Trans proline' 0 CA--C 1.508 -0.784 0 C-N-CA 122.658 2.239 . . . . 1.0 113.065 -175.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 83.0 m -84.19 -39.51 19.27 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-O 122.127 0.965 . . . . 1.0 109.511 -174.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.6 t -79.13 -16.94 55.95 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.371 -1.455 . . . . 1.0 113.38 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.0 m170 68.0 27.52 7.06 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 125.826 1.65 . . . . 1.0 112.913 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -125.25 135.65 52.75 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 123.388 0.675 . . . . 1.0 111.434 -163.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.3 t -116.92 128.91 74.21 Favored 'Isoleucine or valine' 0 C--N 1.346 0.441 0 C-N-CA 124.374 1.07 . . . . 1.0 108.867 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 80.3 mtp -122.56 142.4 50.66 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.871 -1.143 . . . . 1.0 109.856 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.09 124.85 40.18 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 121.153 -0.967 . . . . 1.0 109.042 176.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.25 -106.28 1.38 Allowed Glycine 0 C--N 1.35 1.332 0 O-C-N 120.64 -1.288 . . . . 1.0 112.048 -172.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -114.73 4.27 14.95 Favored 'General case' 0 C--N 1.343 0.292 0 O-C-N 121.336 -1.097 . . . . 1.0 112.706 170.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -109.19 130.7 22.44 Favored Pre-proline 0 C--N 1.35 0.592 0 O-C-N 120.305 -1.497 . . . . 1.0 112.531 -167.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.79 139.34 19.72 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 122.503 2.135 . . . . 1.0 112.641 170.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.9 mt -101.22 167.4 10.23 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 125.143 1.377 . . . . 1.0 111.262 -177.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -123.28 129.39 51.29 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 120.612 -1.305 . . . . 1.0 111.844 -177.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.2 ptp -154.5 168.31 27.15 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 120.948 -1.095 . . . . 1.0 111.504 174.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.83 174.56 51.48 Favored Glycine 0 C--N 1.35 1.346 0 O-C-N 120.783 -1.198 . . . . 1.0 113.45 172.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -80.2 -32.31 1.41 Allowed 'Trans proline' 0 C--N 1.326 -0.644 0 C-N-CA 121.889 1.726 . . . . 1.0 112.378 -167.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.7 m -66.0 -37.26 85.48 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 122.68 1.229 . . . . 1.0 110.944 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -62.51 -42.97 99.87 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 124.936 1.294 . . . . 1.0 112.045 175.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -60.78 -42.57 97.8 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 124.601 1.16 . . . . 1.0 113.212 174.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -60.07 -44.65 94.58 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 120.62 -1.3 . . . . 1.0 113.418 177.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.8 tp -64.47 -43.32 94.57 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 121.392 -0.817 . . . . 1.0 113.124 175.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.0 tp -62.77 -43.28 99.22 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 120.715 -1.241 . . . . 1.0 114.009 177.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -61.66 -40.35 94.63 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.565 -1.334 . . . . 1.0 112.353 174.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -62.13 -44.03 97.53 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 124.021 0.929 . . . . 1.0 112.506 172.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -61.77 -44.56 96.65 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 120.105 -1.622 . . . . 1.0 114.723 173.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 98.2 mtp -74.98 -17.28 60.56 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 119.693 -1.88 . . . . 1.0 113.477 -178.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.3 p -94.46 -0.47 54.71 Favored 'General case' 0 C--N 1.345 0.387 0 O-C-N 120.221 -1.549 . . . . 1.0 110.895 172.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -140.88 62.59 17.45 Favored Pre-proline 0 C--N 1.351 0.645 0 O-C-N 121.129 -0.982 . . . . 1.0 112.904 174.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -78.61 150.7 24.79 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 123.605 2.87 . . . . 1.0 111.877 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 64.01 37.37 9.31 Favored 'General case' 0 C--N 1.347 0.459 0 C-N-CA 127.051 2.14 . . . . 1.0 112.437 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -137.32 126.99 25.33 Favored 'General case' 0 C--N 1.346 0.426 0 O-C-N 120.911 -1.118 . . . . 1.0 109.593 -170.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 18.6 t -92.87 129.73 42.98 Favored 'Isoleucine or valine' 0 C--N 1.345 0.407 0 CA-C-O 122.816 1.293 . . . . 1.0 111.324 -175.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -129.38 132.0 46.95 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 125.852 1.661 . . . . 1.0 108.014 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.4 p -74.08 165.41 25.19 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.175 1.39 . . . . 1.0 111.105 169.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 75.4 mtt85 -59.7 -38.12 80.74 Favored 'General case' 0 C--N 1.35 0.629 0 O-C-N 120.486 -1.384 . . . . 1.0 111.895 175.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -57.82 -44.37 86.36 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.647 1.179 . . . . 1.0 113.584 172.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -66.88 -41.22 87.59 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 120.039 -1.663 . . . . 1.0 112.496 175.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.27 -39.77 95.52 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 120.194 -1.566 . . . . 1.0 113.979 174.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.0 mt -60.4 -45.2 94.43 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.567 -1.333 . . . . 1.0 112.771 171.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -60.43 -45.61 93.01 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 113.369 0.878 . . . . 1.0 113.369 175.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -79.64 -45.12 19.66 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 115.848 1.796 . . . . 1.0 115.848 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.7 t -88.83 -46.33 15.49 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 O-C-N 120.167 -1.583 . . . . 1.0 112.503 -170.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 13.8 m-90 -84.49 -42.78 15.22 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 120.87 -1.144 . . . . 1.0 111.03 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 113.94 166.77 16.03 Favored Glycine 0 C--N 1.346 1.127 0 CA-C-O 122.497 1.054 . . . . 1.0 113.516 -173.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.9 p -97.69 -9.64 26.38 Favored 'General case' 0 C--N 1.345 0.412 0 O-C-N 120.594 -1.533 . . . . 1.0 114.409 -169.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -96.01 -2.48 46.8 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 119.685 -1.884 . . . . 1.0 109.346 169.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.3 t -92.79 146.21 6.67 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 C-N-CA 125.869 1.668 . . . . 1.0 108.895 174.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -145.63 140.37 27.29 Favored 'General case' 0 C--N 1.346 0.423 0 O-C-N 120.592 -1.317 . . . . 1.0 109.856 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.1 m -155.33 170.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.453 0 N-CA-C 104.748 -2.316 . . . . 1.0 104.748 -178.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -70.62 157.47 37.89 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.835 -1.166 . . . . 1.0 110.625 172.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -64.63 -28.78 69.85 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 125.959 1.704 . . . . 1.0 110.811 -176.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -15.02 61.43 Favored 'General case' 0 N--CA 1.434 -1.243 0 C-N-CA 126.548 1.939 . . . . 1.0 113.849 -179.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.3 m -64.89 -30.36 71.36 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 119.798 -1.814 . . . . 1.0 111.884 168.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.2 t -65.7 -47.12 87.17 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 O-C-N 120.491 -1.381 . . . . 1.0 112.367 168.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.38 -44.95 84.89 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 125.398 1.479 . . . . 1.0 113.734 178.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.86 -42.8 97.04 Favored 'Isoleucine or valine' 0 C--N 1.347 0.476 0 C-N-CA 124.689 1.196 . . . . 1.0 112.207 174.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 53.3 m-70 -66.65 -34.48 77.96 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 119.651 -1.906 . . . . 1.0 114.287 174.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.9 mm -60.91 -43.03 94.94 Favored 'Isoleucine or valine' 0 C--N 1.344 0.336 0 O-C-N 120.172 -1.58 . . . . 1.0 112.354 171.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -61.08 -45.15 95.9 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.908 -1.12 . . . . 1.0 112.894 171.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -62.18 -39.51 92.96 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 120.47 -1.394 . . . . 1.0 113.877 176.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 41.5 tp -64.72 -45.32 87.05 Favored 'General case' 0 C--N 1.349 0.554 0 N-CA-C 113.885 1.068 . . . . 1.0 113.885 172.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -60.96 -43.52 98.63 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 120.087 -1.633 . . . . 1.0 113.569 172.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -60.15 -37.35 79.85 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 120.423 -1.423 . . . . 1.0 113.044 174.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.57 -38.45 91.18 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 115.355 1.613 . . . . 1.0 115.355 172.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.0 mt -94.57 -6.83 42.74 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 120.769 -1.207 . . . . 1.0 111.643 -174.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -61.92 -43.81 88.19 Favored Pre-proline 0 C--N 1.349 0.56 0 C-N-CA 125.816 1.646 . . . . 1.0 114.796 174.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -57.32 -24.97 62.92 Favored 'Trans proline' 0 CA--C 1.515 -0.448 0 C-N-CA 123.328 2.685 . . . . 1.0 114.395 168.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -95.59 0.97 63.56 Favored Glycine 0 C--N 1.346 1.115 0 C-N-CA 124.346 0.974 . . . . 1.0 114.183 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 60.67 28.65 68.3 Favored Glycine 0 C--N 1.351 1.374 0 CA-C-N 119.071 1.435 . . . . 1.0 115.359 -178.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 47.1 m80 -127.56 13.06 6.98 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 121.147 -1.208 . . . . 1.0 112.343 -174.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -56.38 -31.36 63.76 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 125.823 1.649 . . . . 1.0 114.19 167.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -56.55 -29.05 61.51 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 127.853 2.461 . . . . 1.0 116.253 178.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 40.9 mtp -65.28 -34.04 77.4 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 119.707 -1.871 . . . . 1.0 113.86 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 40.8 t -76.1 111.41 12.58 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 C-N-CA 125.525 1.53 . . . . 1.0 111.067 174.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -117.23 150.0 39.48 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 120.399 -1.438 . . . . 1.0 110.785 -172.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 27.9 m -111.44 137.3 49.42 Favored 'General case' 0 CA--C 1.51 -0.58 0 C-N-CA 123.884 0.873 . . . . 1.0 109.42 -176.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.6 t -118.95 109.71 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 O-C-N 120.77 -1.206 . . . . 1.0 107.895 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 44.3 ttt85 -54.79 111.68 0.87 Allowed 'General case' 0 C--N 1.354 0.783 0 N-CA-C 115.164 1.542 . . . . 1.0 115.164 -172.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.01 0.82 89.41 Favored Glycine 0 C--N 1.35 1.306 0 O-C-N 120.463 -1.398 . . . . 1.0 113.741 175.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.2 m -119.99 -36.19 3.33 Favored 'General case' 0 CA--C 1.51 -0.576 0 C-N-CA 123.976 0.91 . . . . 1.0 109.593 -174.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 138.65 -129.03 4.33 Favored Glycine 0 C--N 1.351 1.365 0 O-C-N 120.533 -1.354 . . . . 1.0 112.733 177.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -139.18 165.44 27.14 Favored 'General case' 0 CA--C 1.509 -0.604 0 O-C-N 121.649 -0.913 . . . . 1.0 111.098 -172.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -145.68 147.05 31.56 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.59 1.156 . . . . 1.0 108.557 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -117.49 141.68 48.06 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 106.767 -1.568 . . . . 1.0 106.767 174.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.0 t -143.84 141.0 30.12 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 120.41 -1.431 . . . . 1.0 112.711 -173.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.1 p . . . . . 0 C--N 1.349 0.577 0 C-N-CA 123.875 0.87 . . . . 1.0 111.829 174.309 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.2 t . . . . . 0 C--O 1.236 0.349 0 N-CA-C 112.705 0.631 . . . . 1.0 112.705 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.6 mt -111.67 117.79 55.99 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 N-CA-C 106.83 -1.544 . . . . 1.0 106.83 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -127.08 119.43 26.53 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 121.342 -0.849 . . . . 1.0 110.308 -174.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -162.02 149.01 13.89 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-O 121.946 0.879 . . . . 1.0 111.161 172.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 50.62 49.62 20.5 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 127.207 2.203 . . . . 1.0 115.882 177.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.05 3.0 73.98 Favored Glycine 0 C--N 1.348 1.245 0 N-CA-C 115.293 0.877 . . . . 1.0 115.293 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.0 tp -122.33 130.54 53.23 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 123.592 0.757 . . . . 1.0 110.908 -174.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.6 p -127.82 126.14 41.11 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 122.864 1.316 . . . . 1.0 112.62 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.3 tt -124.26 126.38 45.98 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 120.222 -1.549 . . . . 1.0 110.019 -175.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -112.43 109.61 53.64 Favored Pre-proline 0 C--N 1.349 0.55 0 N-CA-C 107.378 -1.341 . . . . 1.0 107.378 177.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.78 -29.84 34.86 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 122.576 2.184 . . . . 1.0 111.698 175.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.3 m -63.16 -41.21 99.22 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 125.02 1.328 . . . . 1.0 112.094 -178.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.9 m -101.18 -2.89 30.18 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 121.024 -1.048 . . . . 1.0 112.846 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.6 m170 61.87 38.77 14.35 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 125.314 1.446 . . . . 1.0 114.428 -178.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.3 ttt180 -124.26 133.54 53.47 Favored 'General case' 0 N--CA 1.444 -0.742 0 O-C-N 121.49 -0.756 . . . . 1.0 112.494 -171.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.2 t -112.54 130.37 66.42 Favored 'Isoleucine or valine' 0 C--N 1.346 0.425 0 N-CA-C 107.123 -1.436 . . . . 1.0 107.123 172.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.8 mtp -124.82 146.65 49.15 Favored 'General case' 0 N--CA 1.443 -0.811 0 O-C-N 121.131 -0.98 . . . . 1.0 109.179 174.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.71 115.36 21.28 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 106.297 -1.742 . . . . 1.0 106.297 168.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.83 -129.71 35.89 Favored Glycine 0 C--N 1.349 1.279 0 O-C-N 121.532 -0.73 . . . . 1.0 112.399 -165.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -97.26 10.43 39.55 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 121.408 -1.054 . . . . 1.0 112.046 178.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -112.78 122.65 35.58 Favored Pre-proline 0 N--CA 1.445 -0.694 0 O-C-N 121.052 -1.03 . . . . 1.0 111.202 -172.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.93 145.67 32.01 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.771 2.314 . . . . 1.0 111.65 175.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.9 mt -103.47 159.6 15.45 Favored 'General case' 0 CA--C 1.512 -0.498 0 C-N-CA 124.049 0.94 . . . . 1.0 111.091 -178.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -119.24 126.22 51.0 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.852 0.834 . . . . 1.0 110.556 -177.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.0 ptp -159.5 171.37 19.8 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 107.161 -1.422 . . . . 1.0 107.161 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.66 173.02 43.28 Favored Glycine 0 C--N 1.352 1.431 0 O-C-N 120.761 -1.212 . . . . 1.0 113.165 175.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -63.11 -37.89 49.26 Favored 'Trans proline' 0 C--N 1.33 -0.422 0 C-N-CA 123.307 2.671 . . . . 1.0 114.526 -178.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.7 m -64.7 -41.61 95.89 Favored 'General case' 0 C--N 1.347 0.494 0 C-N-CA 123.98 0.912 . . . . 1.0 111.831 176.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -62.66 -42.01 99.38 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.769 -1.207 . . . . 1.0 112.639 171.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -59.71 -47.56 85.15 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 124.267 1.027 . . . . 1.0 112.955 175.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -63.84 -41.54 97.8 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 120.786 -1.196 . . . . 1.0 113.101 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.1 tp -62.02 -43.93 97.79 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 121.04 -1.037 . . . . 1.0 113.106 172.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.4 tp -63.8 -40.99 97.96 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.731 -1.231 . . . . 1.0 113.224 174.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -58.81 -44.67 90.87 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 120.526 -1.359 . . . . 1.0 112.192 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.58 -46.12 91.2 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 121.281 -0.887 . . . . 1.0 112.934 174.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -62.89 -42.17 99.68 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 115.035 1.495 . . . . 1.0 115.035 173.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 87.9 mtp -72.52 -19.33 61.54 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 119.522 -1.986 . . . . 1.0 114.048 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.0 t -98.59 6.64 46.93 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.769 -1.207 . . . . 1.0 111.197 170.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -141.64 62.66 15.41 Favored Pre-proline 0 C--N 1.356 0.868 0 O-C-N 120.362 -1.461 . . . . 1.0 113.861 170.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -77.3 155.23 32.61 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 123.159 2.573 . . . . 1.0 112.042 177.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 61.61 45.81 7.8 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 127.104 2.162 . . . . 1.0 113.729 177.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -150.33 140.59 22.23 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.445 -0.946 . . . . 1.0 108.445 172.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.4 t -84.94 137.22 21.21 Favored 'Isoleucine or valine' 0 C--N 1.346 0.451 0 CA-C-O 122.45 1.119 . . . . 1.0 110.428 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -125.95 126.31 44.15 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 106.751 -1.574 . . . . 1.0 106.751 173.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.9 p -64.21 158.65 22.57 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 121.451 -0.781 . . . . 1.0 111.589 169.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -58.6 -36.51 74.14 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 120.318 -1.489 . . . . 1.0 111.759 174.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -59.43 -43.44 93.1 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 113.929 1.085 . . . . 1.0 113.929 171.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -65.79 -42.51 90.64 Favored 'General case' 0 C--N 1.361 1.079 0 O-C-N 119.847 -1.783 . . . . 1.0 112.68 173.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.55 -42.19 98.46 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.967 -1.083 . . . . 1.0 112.594 176.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 58.6 mt -59.12 -48.9 79.91 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 121.332 -0.855 . . . . 1.0 112.812 171.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -62.0 -44.42 96.76 Favored 'General case' 0 C--N 1.346 0.451 0 O-C-N 120.906 -1.121 . . . . 1.0 113.615 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -72.29 -42.17 65.82 Favored 'General case' 0 C--N 1.347 0.463 0 N-CA-C 116.716 2.117 . . . . 1.0 116.716 177.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.3 t -104.39 -36.31 3.88 Favored 'Isoleucine or valine' 0 C--N 1.351 0.655 0 O-C-N 120.152 -1.592 . . . . 1.0 112.773 -167.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 10.2 m-90 -90.36 -41.17 11.65 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 120.803 -1.186 . . . . 1.0 109.843 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 125.34 162.01 11.2 Favored Glycine 0 C--N 1.346 1.122 0 CA-C-O 123.541 1.634 . . . . 1.0 113.816 -177.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.2 p -83.92 -20.21 33.36 Favored 'General case' 0 CA--C 1.514 -0.425 0 O-C-N 120.789 -1.418 . . . . 1.0 112.081 -177.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -100.58 22.32 12.0 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.337 1.055 . . . . 1.0 110.348 175.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.5 t -113.6 136.79 48.88 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.69 0 N-CA-C 107.391 -1.337 . . . . 1.0 107.391 177.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -125.93 9.0 7.48 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 122.953 1.358 . . . . 1.0 113.76 -149.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.9 m -53.12 154.69 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 128.352 2.661 . . . . 1.0 115.578 175.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -59.86 157.65 12.01 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 125.248 1.419 . . . . 1.0 113.166 165.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -62.31 -28.47 69.76 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 120.657 -1.277 . . . . 1.0 113.358 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -72.55 -17.94 61.67 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 120.623 -1.298 . . . . 1.0 114.115 -169.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.9 t -70.43 -20.92 62.87 Favored 'General case' 0 C--N 1.354 0.792 0 O-C-N 119.728 -1.857 . . . . 1.0 112.418 172.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.0 t -64.42 -47.61 88.69 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 O-C-N 119.538 -1.976 . . . . 1.0 111.78 167.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.23 -44.0 92.35 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 124.929 1.292 . . . . 1.0 112.796 177.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 69.2 t -64.1 -43.71 97.52 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 C-N-CA 125.2 1.4 . . . . 1.0 113.178 175.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -68.78 -34.68 75.96 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 119.598 -1.939 . . . . 1.0 112.938 175.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.8 mm -61.17 -41.28 88.86 Favored 'Isoleucine or valine' 0 C--N 1.35 0.618 0 O-C-N 120.307 -1.496 . . . . 1.0 112.858 170.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.8 ttt-85 -58.64 -44.39 90.06 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 120.493 -1.38 . . . . 1.0 113.027 173.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 68.2 mtt-85 -62.4 -42.28 99.31 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 124.623 1.169 . . . . 1.0 113.925 174.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.9 tp -62.81 -44.95 94.81 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.141 0.976 . . . . 1.0 113.089 176.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -59.22 -43.08 92.34 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.275 -1.515 . . . . 1.0 114.566 171.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -59.85 -39.07 83.94 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 121.001 -1.062 . . . . 1.0 113.731 178.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.21 -40.06 95.28 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 114.539 1.311 . . . . 1.0 114.539 171.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 66.7 mt -90.32 -11.03 41.93 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 119.906 -1.746 . . . . 1.0 112.813 -173.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -66.98 -41.72 37.65 Favored Pre-proline 0 C--N 1.344 0.359 0 N-CA-C 117.126 2.269 . . . . 1.0 117.126 -177.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -59.96 -34.47 95.08 Favored 'Trans proline' 0 CA--C 1.521 -0.163 0 CA-C-N 124.902 2.787 . . . . 1.0 114.956 176.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -86.15 -4.21 84.3 Favored Glycine 0 C--N 1.347 1.168 0 CA-C-N 119.074 0.852 . . . . 1.0 114.831 172.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 73.57 33.62 58.08 Favored Glycine 0 C--N 1.347 1.18 0 O-C-N 120.645 -1.503 . . . . 1.0 115.695 177.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -107.65 -6.16 17.05 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 120.871 -1.37 . . . . 1.0 112.087 178.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -56.1 -40.61 73.94 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 126.665 1.986 . . . . 1.0 115.127 175.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -70.37 -14.41 62.56 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 126.923 2.089 . . . . 1.0 114.387 -170.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -93.54 2.4 56.42 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 121.243 -0.911 . . . . 1.0 112.049 173.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.6 t -91.36 96.13 6.07 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 N-CA-C 107.09 -1.448 . . . . 1.0 107.09 164.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -97.77 156.16 16.7 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 120.785 -1.197 . . . . 1.0 111.765 -168.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 86.6 m -111.59 140.44 46.2 Favored 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 123.644 0.778 . . . . 1.0 109.953 -177.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.8 t -116.5 110.56 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 C-N-CA 124.765 1.226 . . . . 1.0 108.042 174.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 53.2 ttt-85 -58.37 127.15 30.68 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 125.789 1.636 . . . . 1.0 113.403 -176.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.21 3.98 90.56 Favored Glycine 0 C--N 1.349 1.256 0 C-N-CA 124.609 1.099 . . . . 1.0 114.085 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 96.2 m -139.7 -63.08 0.51 Allowed 'General case' 0 CA--C 1.51 -0.561 0 CA-C-N 118.556 1.178 . . . . 1.0 111.695 -171.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 169.68 -130.93 2.14 Favored Glycine 0 C--N 1.347 1.187 0 O-C-N 119.762 -1.836 . . . . 1.0 113.385 -172.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -145.93 164.92 30.49 Favored 'General case' 0 C--N 1.346 0.43 0 O-C-N 121.535 -0.98 . . . . 1.0 111.344 -165.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 70.3 ttt-85 -148.39 145.5 28.08 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 124.806 1.243 . . . . 1.0 109.002 -174.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -117.99 144.99 45.06 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 120.286 -1.509 . . . . 1.0 109.794 176.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.7 t -140.58 163.7 32.14 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 120.391 -1.443 . . . . 1.0 111.637 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 35.3 p . . . . . 0 CA--C 1.512 -0.507 0 C-N-CA 124.489 1.116 . . . . 1.0 109.299 169.599 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.9 mtm . . . . . 0 N--CA 1.497 1.91 0 N-CA-C 113.683 0.994 . . . . 1.0 113.683 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.74 -16.28 13.63 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 121.173 -0.954 . . . . 1.0 112.742 -176.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.0 p -62.18 136.68 25.18 Favored 'Isoleucine or valine' 0 C--N 1.348 0.535 0 O-C-N 120.411 -1.43 . . . . 1.0 111.802 169.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -76.18 155.3 34.66 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 120.263 -1.523 . . . . 1.0 112.6 -175.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -135.27 125.6 26.47 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 124.857 1.263 . . . . 1.0 109.094 -172.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.4 p -29.99 137.83 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 128.969 2.908 . . . . 1.0 117.033 164.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.5 mt -109.41 123.54 65.38 Favored 'Isoleucine or valine' 0 C--N 1.346 0.445 0 N-CA-C 106.274 -1.75 . . . . 1.0 106.274 173.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -127.71 117.28 21.63 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 121.161 -0.962 . . . . 1.0 110.979 177.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 18.5 ptm -147.59 134.35 20.03 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 120.734 -1.229 . . . . 1.0 109.781 -174.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 47.59 45.49 17.7 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 116.01 1.856 . . . . 1.0 116.01 177.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.77 5.85 86.69 Favored Glycine 0 C--N 1.348 1.242 0 O-C-N 120.041 -1.662 . . . . 1.0 115.864 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.9 tp -119.07 127.81 53.75 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 118.858 1.329 . . . . 1.0 109.047 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 87.9 p -124.33 128.82 49.67 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-O 122.488 1.137 . . . . 1.0 112.105 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.8 tt -125.26 126.54 45.31 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 120.473 -1.392 . . . . 1.0 109.11 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -109.86 110.9 58.99 Favored Pre-proline 0 N--CA 1.448 -0.535 0 O-C-N 121.1 -1.0 . . . . 1.0 108.392 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -66.52 -28.89 45.2 Favored 'Trans proline' 0 CA--C 1.511 -0.652 0 C-N-CA 122.691 2.261 . . . . 1.0 113.39 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.4 m -72.17 -45.04 62.04 Favored 'General case' 0 C--N 1.348 0.522 0 CA-C-O 122.003 0.906 . . . . 1.0 111.16 -177.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -89.83 -9.9 47.41 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 120.445 -1.409 . . . . 1.0 112.538 -174.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 35.8 m170 61.58 44.97 8.59 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 125.523 1.529 . . . . 1.0 111.627 -172.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -123.62 122.21 37.56 Favored 'General case' 0 N--CA 1.447 -0.605 0 O-C-N 121.555 -0.716 . . . . 1.0 111.234 -165.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.2 t -112.01 129.39 67.56 Favored 'Isoleucine or valine' 0 C--N 1.346 0.428 0 N-CA-C 107.146 -1.427 . . . . 1.0 107.146 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 46.5 mtp -135.27 145.53 47.65 Favored 'General case' 0 N--CA 1.446 -0.626 0 O-C-N 120.78 -1.2 . . . . 1.0 108.903 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.25 120.28 32.64 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 107.387 -1.338 . . . . 1.0 107.387 175.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.78 29.57 72.59 Favored Glycine 0 C--N 1.348 1.228 0 O-C-N 121.144 -0.972 . . . . 1.0 114.465 -175.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 63.27 34.72 13.05 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 126.781 2.032 . . . . 1.0 114.118 -173.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -130.53 129.99 22.87 Favored Pre-proline 0 N--CA 1.45 -0.444 0 N-CA-C 107.258 -1.386 . . . . 1.0 107.258 171.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -68.2 155.63 68.71 Favored 'Trans proline' 0 C--N 1.332 -0.328 0 C-N-CA 123.025 2.483 . . . . 1.0 115.165 -169.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.8 mt -124.79 155.94 38.55 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 106.676 -1.601 . . . . 1.0 106.676 169.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -126.8 133.27 50.84 Favored 'General case' 0 C--N 1.343 0.291 0 O-C-N 121.595 -0.691 . . . . 1.0 111.307 -169.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.9 ptp -160.71 158.44 28.72 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 122.173 0.987 . . . . 1.0 112.155 -178.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.96 174.56 43.23 Favored Glycine 0 C--N 1.349 1.256 0 C-N-CA 124.184 0.897 . . . . 1.0 115.098 175.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -78.77 -30.99 2.65 Favored 'Trans proline' 0 C--N 1.326 -0.654 0 C-N-CA 122.182 1.922 . . . . 1.0 112.879 -167.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.0 m -66.55 -39.41 88.52 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 120.303 1.411 . . . . 1.0 110.812 172.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -43.72 94.37 Favored 'General case' 0 C--N 1.348 0.539 0 C-N-CA 125.463 1.505 . . . . 1.0 111.893 174.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -61.07 -45.31 95.26 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 121.052 -1.03 . . . . 1.0 113.044 174.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -64.49 -41.29 96.55 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.503 -1.373 . . . . 1.0 113.711 178.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.6 tp -62.22 -43.14 99.5 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 120.584 -1.322 . . . . 1.0 113.02 172.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.4 tp -62.61 -42.44 99.58 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.845 -1.16 . . . . 1.0 113.299 173.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -60.62 -43.01 97.99 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 120.571 -1.331 . . . . 1.0 112.846 173.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -62.15 -46.02 90.84 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 120.749 -1.219 . . . . 1.0 112.816 173.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -64.43 -43.28 94.84 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.321 -1.487 . . . . 1.0 114.797 174.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 97.3 mtp -72.41 -20.86 61.35 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 119.667 -1.896 . . . . 1.0 113.667 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.2 p -84.99 -12.54 53.01 Favored 'General case' 0 C--N 1.345 0.405 0 O-C-N 120.351 -1.468 . . . . 1.0 111.533 170.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -133.2 62.76 62.96 Favored Pre-proline 0 C--N 1.35 0.63 0 N-CA-C 114.735 1.383 . . . . 1.0 114.735 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -74.22 149.72 41.08 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.621 2.214 . . . . 1.0 111.404 172.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.447 ' CD ' HH21 ' A' ' 99' ' ' ARG . 8.5 tp10 68.15 48.04 0.97 Allowed 'General case' 0 C--N 1.349 0.553 0 C-N-CA 125.971 1.708 . . . . 1.0 113.205 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -151.5 140.45 21.03 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 120.081 -1.637 . . . . 1.0 110.101 172.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.3 t -88.8 134.95 26.95 Favored 'Isoleucine or valine' 0 C--N 1.346 0.453 0 O-C-N 120.785 -1.197 . . . . 1.0 110.363 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -126.34 126.6 44.18 Favored 'General case' 0 CA--C 1.507 -0.697 0 C-N-CA 125.153 1.381 . . . . 1.0 108.802 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 81.9 p -74.0 164.44 26.63 Favored 'General case' 0 C--N 1.345 0.4 0 O-C-N 121.263 -0.898 . . . . 1.0 110.977 170.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -60.52 -32.87 71.88 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.291 -1.506 . . . . 1.0 112.483 177.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.56 -44.51 93.24 Favored 'General case' 0 C--N 1.35 0.593 0 N-CA-C 114.769 1.396 . . . . 1.0 114.769 170.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -65.31 -41.92 93.57 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.648 -1.282 . . . . 1.0 112.176 177.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.44 -41.78 98.98 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 121.249 -0.907 . . . . 1.0 112.836 174.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 66.2 mt -60.67 -47.4 86.43 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 120.496 -1.378 . . . . 1.0 113.94 173.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -64.36 -43.59 94.07 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 120.71 -1.244 . . . . 1.0 113.456 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -71.5 -48.31 49.79 Favored 'General case' 0 C--N 1.349 0.577 0 N-CA-C 115.961 1.838 . . . . 1.0 115.961 175.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.3 t -94.91 -53.33 8.43 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.499 0 O-C-N 119.65 -1.906 . . . . 1.0 111.85 -165.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 16.1 m-90 -71.66 -44.08 64.94 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 121.14 -0.975 . . . . 1.0 111.442 176.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 124.82 153.17 8.48 Favored Glycine 0 C--N 1.345 1.045 0 CA-C-O 122.472 1.04 . . . . 1.0 112.303 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 52.8 p -64.36 -43.25 95.12 Favored 'General case' 0 C--N 1.342 0.281 0 C-N-CA 125.766 1.626 . . . . 1.0 114.091 -176.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -101.84 7.26 41.72 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 120.679 -1.263 . . . . 1.0 110.545 -173.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.6 t -89.38 140.85 15.17 Favored 'Isoleucine or valine' 0 C--N 1.346 0.448 0 C-N-CA 125.628 1.571 . . . . 1.0 108.35 175.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -128.77 127.01 41.14 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 122.466 1.127 . . . . 1.0 112.878 -171.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.5 m -154.54 174.83 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.448 0 C-N-CA 127.58 2.352 . . . . 1.0 105.513 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -74.68 157.39 35.39 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 124.243 1.017 . . . . 1.0 112.371 169.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.19 -29.35 69.75 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 125.189 1.396 . . . . 1.0 112.218 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -88.04 6.02 38.14 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.698 -1.251 . . . . 1.0 112.517 -176.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.8 m -62.57 -36.36 82.45 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 119.816 -1.802 . . . . 1.0 111.447 156.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.4 t -61.68 -45.36 98.83 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 O-C-N 120.411 -1.43 . . . . 1.0 112.453 176.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.06 -46.23 79.02 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 126.165 1.786 . . . . 1.0 113.887 178.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 80.1 t -65.02 -42.15 93.92 Favored 'Isoleucine or valine' 0 C--N 1.346 0.444 0 C-N-CA 124.327 1.051 . . . . 1.0 112.114 175.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -68.24 -35.71 78.35 Favored 'General case' 0 C--N 1.345 0.372 0 O-C-N 119.998 -1.689 . . . . 1.0 113.879 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 9.7 mm -60.13 -42.26 89.43 Favored 'Isoleucine or valine' 0 C--N 1.348 0.501 0 O-C-N 120.604 -1.31 . . . . 1.0 112.083 170.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -61.38 -44.08 97.77 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 120.771 -1.206 . . . . 1.0 112.79 171.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.68 -41.5 97.65 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.839 -1.163 . . . . 1.0 113.889 175.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.7 tp -65.2 -45.45 84.73 Favored 'General case' 0 C--N 1.348 0.523 0 N-CA-C 113.565 0.95 . . . . 1.0 113.565 173.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -60.64 -44.23 96.62 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 119.926 -1.734 . . . . 1.0 113.539 172.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -58.59 -40.4 83.08 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 124.749 1.219 . . . . 1.0 112.698 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.65 -38.16 90.07 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 115.451 1.648 . . . . 1.0 115.451 173.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.8 mt -95.14 -9.81 32.43 Favored 'General case' 0 C--N 1.358 0.966 0 O-C-N 120.623 -1.298 . . . . 1.0 111.623 -174.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -60.1 -45.96 97.92 Favored Pre-proline 0 C--N 1.346 0.456 0 CA-C-O 116.491 -1.719 . . . . 1.0 115.546 177.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -76.56 -14.88 17.69 Favored 'Trans proline' 0 CA--C 1.515 -0.467 0 CA-C-N 125.181 2.886 . . . . 1.0 110.534 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -89.16 1.49 82.76 Favored Glycine 0 C--N 1.345 1.076 0 C-N-CA 124.696 1.141 . . . . 1.0 113.322 171.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 74.57 15.16 80.64 Favored Glycine 0 C--N 1.351 1.378 0 CA-C-N 118.664 1.232 . . . . 1.0 115.65 174.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -122.11 9.0 9.83 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 121.071 -1.252 . . . . 1.0 114.235 -169.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -54.83 -35.38 63.89 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 115.374 1.62 . . . . 1.0 115.374 169.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.5 ptt-85 -69.76 -13.65 62.39 Favored 'General case' 0 C--N 1.349 0.569 0 N-CA-C 116.131 1.9 . . . . 1.0 116.131 -174.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 58.9 mtp -66.03 -36.25 82.75 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 120.681 -1.262 . . . . 1.0 113.089 168.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 56.3 t -80.42 98.06 3.38 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 C-N-CA 126.753 2.021 . . . . 1.0 110.418 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -114.67 161.07 18.6 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 124.521 1.129 . . . . 1.0 112.536 -168.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.1 m -116.71 131.09 57.04 Favored 'General case' 0 CA--C 1.508 -0.643 0 C-N-CA 124.252 1.021 . . . . 1.0 111.718 -168.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.0 t -110.25 103.03 14.84 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 N-CA-C 107.353 -1.351 . . . . 1.0 107.353 174.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.15 128.67 36.9 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.71 -1.244 . . . . 1.0 113.039 -176.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.45 5.61 89.39 Favored Glycine 0 C--N 1.351 1.371 0 C-N-CA 124.137 0.875 . . . . 1.0 114.438 -178.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 57.3 m -139.93 -60.18 0.54 Allowed 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 118.2 1.0 . . . . 1.0 110.884 -178.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 170.16 -133.43 2.81 Favored Glycine 0 C--N 1.349 1.274 0 O-C-N 119.879 -1.763 . . . . 1.0 113.582 -173.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -139.23 163.1 33.34 Favored 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 121.699 -0.883 . . . . 1.0 109.809 -170.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.447 HH21 ' CD ' ' A' ' 46' ' ' GLU . 56.7 ttt-85 -146.37 150.29 35.4 Favored 'General case' 0 C--N 1.347 0.48 0 N-CA-C 107.947 -1.131 . . . . 1.0 107.947 -177.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -118.39 139.89 50.69 Favored 'General case' 0 C--N 1.348 0.534 0 O-C-N 120.405 -1.434 . . . . 1.0 107.77 176.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.44 ' HG ' ' C ' ' A' ' 104' ' ' PHE . 39.7 t -150.53 147.19 27.17 Favored 'General case' 0 CA--C 1.509 -0.628 0 O-C-N 120.662 -1.274 . . . . 1.0 109.766 -171.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.5 p -62.0 -37.97 86.83 Favored 'General case' 0 C--N 1.346 0.416 0 N-CA-C 113.781 1.03 . . . . 1.0 113.781 173.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -153.45 -62.45 0.14 Allowed 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 123.18 0.592 . . . . 1.0 110.69 177.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.44 ' C ' ' HG ' ' A' ' 101' ' ' SER . 29.2 t80 . . . . . 0 C--O 1.261 1.671 0 C-N-CA 124.918 1.287 . . . . 1.0 111.214 -170.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.568 0 O5'-C5'-C4' 113.556 2.397 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.549 4.739 0 O5'-C5'-C4' 113.364 2.26 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.461 0 O5'-C5'-C4' 113.145 2.104 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.426 0 C5'-C4'-C3' 120.101 3.6 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 4 C3'--C2' 1.24 -27.81 6 O4'-C1'-C2' 94.435 -10.604 . . . . 1.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.562 -3.716 0 OP1-P-OP2 115.269 -2.888 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.354 0 OP1-P-OP2 115.923 -2.451 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.814 0 O4'-C1'-C2' 102.868 -2.938 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.251 0 OP1-P-OP2 116.339 -2.174 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.094 0 P-O3'-C3' 122.919 2.682 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.569 -3.146 0 P-O3'-C3' 123.978 3.565 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.407 0 OP1-P-OP2 115.492 -2.739 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.39 0 OP1-P-OP2 116.903 -1.798 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.406 0 OP1-P-OP2 116.0 -2.4 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.44 0 OP1-P-OP2 116.887 -1.809 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.574 -2.75 0 P-O5'-C5' 117.614 -2.054 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.715 0 O5'-C5'-C4' 114.553 3.109 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.553 0 P-O5'-C5' 117.657 -2.027 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.57 -3.087 0 P-O3'-C3' 122.695 2.496 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.464 0 OP1-P-OP2 116.109 -2.327 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.673 0 OP1-P-OP2 116.466 -2.09 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.447 0 OP1-P-OP2 115.666 -2.623 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.564 -3.602 1 P-O3'-C3' 125.656 4.963 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.557 -4.146 0 OP1-P-OP2 115.851 -2.499 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.674 0 O5'-C5'-C4' 114.278 2.913 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.571 -2.985 0 P-O5'-C5' 116.699 -2.625 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.569 -3.134 0 OP1-P-OP2 115.637 -2.642 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.572 -2.891 0 P-O5'-C5' 115.413 -3.429 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.562 -3.087 0 OP1-P-OP2 116.523 -2.052 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.5 0 P-O3'-C3' 123.575 3.229 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.454 0 OP1-P-OP2 115.904 -2.464 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.985 0 OP1-P-OP2 116.017 -2.389 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.1 mtt . . . . . 0 N--CA 1.487 1.404 0 N-CA-C 114.765 1.394 . . . . 1.0 114.765 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.98 -10.89 13.46 Favored 'General case' 0 N--CA 1.447 -0.578 0 O-C-N 120.972 -1.08 . . . . 1.0 113.697 -177.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.8 m -101.95 -4.39 9.32 Favored 'Isoleucine or valine' 0 C--N 1.349 0.563 0 O-C-N 120.73 -1.231 . . . . 1.0 112.949 -171.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -59.65 150.35 27.79 Favored 'General case' 0 C--N 1.346 0.444 0 C-N-CA 126.063 1.745 . . . . 1.0 113.151 166.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -91.97 1.7 57.02 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 119.463 -2.023 . . . . 1.0 113.188 -171.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 p -146.94 138.84 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 104.509 -2.404 . . . . 1.0 104.509 163.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.0 mt -116.11 124.13 72.08 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 N-CA-C 106.938 -1.504 . . . . 1.0 106.938 -178.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -124.21 120.61 32.77 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-O 122.432 1.11 . . . . 1.0 111.549 -173.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 47.3 mtt -133.68 124.33 26.55 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.865 1.266 . . . . 1.0 109.038 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 59.66 32.62 21.61 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 115.387 1.625 . . . . 1.0 115.387 167.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.42 3.87 90.55 Favored Glycine 0 C--N 1.352 1.441 0 O-C-N 120.078 -1.639 . . . . 1.0 115.839 -172.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.9 tp -112.24 124.84 53.32 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.896 1.278 . . . . 1.0 108.426 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.6 p -125.98 136.13 52.64 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 120.521 -1.362 . . . . 1.0 113.292 -177.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 tt -123.71 130.7 53.04 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 125.502 1.521 . . . . 1.0 110.459 -173.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -117.02 114.27 39.15 Favored Pre-proline 0 C--O 1.238 0.468 0 N-CA-C 107.29 -1.374 . . . . 1.0 107.29 177.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -65.29 -31.48 52.96 Favored 'Trans proline' 0 CA--C 1.513 -0.548 0 C-N-CA 122.666 2.244 . . . . 1.0 114.742 -178.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.9 m -73.88 -45.07 53.15 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 122.211 1.005 . . . . 1.0 110.335 -176.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.8 t -79.46 -17.27 54.58 Favored 'General case' 0 C--N 1.345 0.377 0 O-C-N 120.666 -1.271 . . . . 1.0 112.89 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.5 m170 63.54 36.78 10.88 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 125.599 1.56 . . . . 1.0 112.273 -173.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -117.49 126.0 51.85 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 121.393 -0.817 . . . . 1.0 111.021 -165.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.5 t -112.17 117.1 54.37 Favored 'Isoleucine or valine' 0 C--N 1.347 0.493 0 C-N-CA 124.738 1.215 . . . . 1.0 107.84 176.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 13.4 tpt -119.78 125.17 47.93 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 120.852 -1.155 . . . . 1.0 109.267 -172.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.98 107.71 16.04 Favored 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 120.384 -1.448 . . . . 1.0 108.639 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.19 -105.68 0.52 Allowed Glycine 0 C--N 1.351 1.385 0 O-C-N 120.577 -1.327 . . . . 1.0 114.217 -172.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.4 8.27 35.73 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.319 1.448 . . . . 1.0 113.266 176.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -119.19 126.41 27.06 Favored Pre-proline 0 C--N 1.349 0.58 0 O-C-N 120.194 -1.566 . . . . 1.0 113.611 -169.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -92.15 119.66 0.5 Allowed 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 121.795 1.663 . . . . 1.0 110.007 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.8 mt -84.85 165.23 17.89 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 124.197 0.999 . . . . 1.0 113.165 -172.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -127.55 126.93 43.06 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 121.194 -0.941 . . . . 1.0 111.288 -175.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.6 ptp -158.44 162.19 37.53 Favored 'General case' 0 N--CA 1.447 -0.583 0 O-C-N 121.517 -0.739 . . . . 1.0 110.27 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.8 157.02 52.43 Favored Glycine 0 C--N 1.352 1.425 0 O-C-N 120.66 -1.275 . . . . 1.0 113.952 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -49.61 -44.65 34.61 Favored 'Trans proline' 0 C--N 1.33 -0.42 0 C-N-CA 124.657 3.571 . . . . 1.0 115.353 170.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 89.8 m -61.67 -40.12 93.83 Favored 'General case' 0 C--N 1.348 0.5 0 C-N-CA 124.511 1.124 . . . . 1.0 112.275 175.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -63.5 -40.84 98.11 Favored 'General case' 0 C--N 1.354 0.788 0 O-C-N 120.31 -1.494 . . . . 1.0 113.072 170.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -60.82 -46.45 90.47 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 121.002 -1.061 . . . . 1.0 112.82 175.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -62.12 -41.17 97.98 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.781 -1.2 . . . . 1.0 112.446 175.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.4 tp -62.45 -45.04 94.89 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 120.704 -1.247 . . . . 1.0 113.341 174.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.8 tp -64.12 -39.6 94.39 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 120.748 -1.22 . . . . 1.0 113.171 174.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -60.14 -43.2 95.9 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.468 -1.395 . . . . 1.0 112.853 172.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -62.62 -43.95 97.52 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.815 -1.178 . . . . 1.0 112.681 172.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -61.58 -44.16 97.54 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 120.176 -1.578 . . . . 1.0 114.811 173.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 96.9 mtp -78.26 -13.14 59.98 Favored 'General case' 0 C--N 1.346 0.418 0 O-C-N 119.396 -2.065 . . . . 1.0 113.733 -178.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.5 p -93.99 -4.55 49.44 Favored 'General case' 0 C--N 1.345 0.389 0 O-C-N 120.388 -1.445 . . . . 1.0 110.767 169.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -144.97 65.4 12.04 Favored Pre-proline 0 C--N 1.353 0.738 0 N-CA-C 114.633 1.346 . . . . 1.0 114.633 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -74.76 149.0 37.25 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 123.1 2.533 . . . . 1.0 112.372 173.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . 0.286 23.5 mt-10 59.95 47.61 9.7 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 128.877 2.871 . . . . 1.0 116.441 176.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.9 mmt180 -137.31 164.6 28.18 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 105.854 -1.906 . . . . 1.0 105.854 168.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.2 t -113.97 133.76 58.95 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 N-CA-C 108.885 -0.783 . . . . 1.0 108.885 -177.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -126.7 129.3 48.15 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 124.485 1.114 . . . . 1.0 108.922 -178.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.9 p -72.21 164.3 26.47 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.988 0.899 . . . . 1.0 111.829 169.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -59.76 -35.83 75.4 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 120.581 -1.324 . . . . 1.0 112.467 174.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 57.8 mp0 -60.86 -42.09 97.17 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 120.496 -1.377 . . . . 1.0 114.365 169.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -72.82 -33.43 66.18 Favored 'General case' 0 C--O 1.275 2.441 0 CA-C-N 121.156 1.798 . . . . 1.0 110.693 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 1.602 ' CA ' ' CB ' ' A' ' 54' ' ' LEU 0.804 21.2 mt -85.73 -16.26 39.52 Favored 'General case' 2 CA--C 1.643 4.523 1 CA-C-O 105.682 -6.866 . . . . 1.0 104.153 -179.718 . . . . . . . . 5 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . 0.278 45.8 mt -74.54 -32.13 62.35 Favored 'General case' 0 N--CA 1.39 -3.429 1 CA-C-N 129.771 5.714 . . . . 1.0 112.774 166.434 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -66.23 -43.06 87.71 Favored 'General case' 0 N--CA 1.425 -1.677 0 N-CA-C 114.128 1.159 . . . . 1.0 114.128 173.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -90.37 -25.16 20.57 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 115.472 1.656 . . . . 1.0 115.472 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 99.4 t -105.78 -62.19 2.22 Favored 'Isoleucine or valine' 0 C--N 1.348 0.539 0 O-C-N 120.868 -1.145 . . . . 1.0 111.169 -173.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 7.5 m-90 -65.98 -42.19 90.17 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 124.194 0.998 . . . . 1.0 112.418 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 110.22 174.49 20.6 Favored Glycine 0 C--N 1.345 1.081 0 CA-C-O 122.889 1.271 . . . . 1.0 112.59 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.0 p -98.32 0.05 44.79 Favored 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 120.833 -1.392 . . . . 1.0 111.813 -168.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -94.51 7.71 44.68 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 125.64 1.576 . . . . 1.0 110.077 172.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.0 t -117.76 136.61 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-O 123.145 1.45 . . . . 1.0 109.662 -171.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -135.7 6.06 3.18 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.053 -1.43 . . . . 1.0 114.007 -155.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.6 m -47.92 168.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 129.021 2.929 . . . . 1.0 117.45 175.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -80.38 170.74 15.98 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.573 -1.33 . . . . 1.0 110.109 173.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -74.74 -19.89 60.05 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 119.592 -1.943 . . . . 1.0 111.464 -171.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.61 -6.31 57.6 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.197 -1.564 . . . . 1.0 114.52 -169.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.3 t -72.81 -18.97 61.41 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 119.85 -1.781 . . . . 1.0 111.36 164.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.3 t -64.66 -48.87 82.91 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 O-C-N 119.737 -1.852 . . . . 1.0 111.625 164.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -58.7 -44.39 90.3 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 120.977 -1.077 . . . . 1.0 112.933 177.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.19 -46.19 96.5 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 C-N-CA 124.728 1.211 . . . . 1.0 112.813 175.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -70.72 -29.41 65.68 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 119.23 -2.168 . . . . 1.0 112.928 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.8 mm -60.93 -42.91 94.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.703 0 O-C-N 120.224 -1.547 . . . . 1.0 112.062 170.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -60.34 -43.84 96.08 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 120.715 -1.241 . . . . 1.0 112.191 170.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 52.5 mtp85 -62.12 -37.84 86.66 Favored 'General case' 0 C--N 1.344 0.348 0 O-C-N 120.639 -1.288 . . . . 1.0 114.172 175.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 37.7 tp -65.6 -45.65 82.35 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 120.611 -1.306 . . . . 1.0 113.285 172.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -59.23 -43.17 92.36 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.042 -1.661 . . . . 1.0 114.101 170.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -59.9 -42.03 92.96 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.718 -1.239 . . . . 1.0 113.194 175.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.15 -38.86 92.59 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 114.971 1.471 . . . . 1.0 114.971 174.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.7 mt -93.29 -3.53 53.4 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 120.454 -1.404 . . . . 1.0 111.212 -174.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -62.47 -47.89 87.87 Favored Pre-proline 0 C--N 1.351 0.655 0 CA-C-O 116.69 -1.624 . . . . 1.0 114.885 174.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -77.87 -15.13 15.15 Favored 'Trans proline' 0 CA--C 1.515 -0.459 0 CA-C-N 124.681 2.708 . . . . 1.0 110.188 176.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.416 ' O ' ' CD2' ' A' ' 86' ' ' HIS . . . -83.91 -0.99 89.88 Favored Glycine 0 C--N 1.345 1.067 0 C-N-CA 125.007 1.289 . . . . 1.0 113.888 172.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.79 25.17 71.71 Favored Glycine 0 C--N 1.352 1.418 0 N-CA-C 116.237 1.255 . . . . 1.0 116.237 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.416 ' CD2' ' O ' ' A' ' 84' ' ' GLY . 95.4 m-70 -134.54 9.29 3.67 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 121.191 -1.182 . . . . 1.0 114.073 -172.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -52.8 -33.76 50.39 Favored 'General case' 0 C--N 1.35 0.594 0 N-CA-C 115.325 1.602 . . . . 1.0 115.325 172.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.4 ptm85 -58.28 -28.16 64.71 Favored 'General case' 0 C--N 1.35 0.591 0 N-CA-C 116.128 1.899 . . . . 1.0 116.128 -177.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 44.8 mtm -71.64 -15.77 62.24 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.493 -1.38 . . . . 1.0 114.723 -174.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.2 t -84.71 108.36 16.7 Favored 'Isoleucine or valine' 0 C--N 1.35 0.596 0 O-C-N 120.986 -1.071 . . . . 1.0 109.272 173.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -104.32 156.72 17.68 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.682 1.193 . . . . 1.0 110.888 -176.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 85.5 m -119.27 132.54 55.92 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 122.4 1.095 . . . . 1.0 109.799 -174.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.0 t -113.61 105.1 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 N-CA-C 107.928 -1.138 . . . . 1.0 107.928 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 43.4 ttt85 -55.67 121.81 9.98 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 125.521 1.528 . . . . 1.0 113.504 -176.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.06 -0.47 79.03 Favored Glycine 0 C--N 1.349 1.266 0 C-N-CA 125.554 1.55 . . . . 1.0 114.577 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 26.2 m -126.54 -46.14 1.61 Allowed 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 118.61 1.205 . . . . 1.0 111.189 -174.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 155.91 -139.89 6.9 Favored Glycine 0 C--N 1.35 1.354 0 O-C-N 119.733 -1.854 . . . . 1.0 113.192 -176.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -134.56 162.83 31.17 Favored 'General case' 0 C--N 1.344 0.35 0 O-C-N 121.584 -0.951 . . . . 1.0 110.352 -172.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 21.8 ttt85 -143.02 149.29 38.08 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 125.395 1.478 . . . . 1.0 108.19 -174.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -120.66 135.36 55.14 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 120.473 -1.392 . . . . 1.0 108.884 176.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.5 t -145.4 125.69 13.88 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.633 -1.292 . . . . 1.0 111.352 -176.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.5 p -64.07 -41.55 97.3 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 124.385 1.074 . . . . 1.0 113.78 177.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.1 ptt85 -94.02 11.47 29.65 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.482 1.113 . . . . 1.0 113.126 -169.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 49.6 t80 . . . . . 0 C--O 1.259 1.588 0 O-C-N 120.812 -1.18 . . . . 1.0 110.725 173.629 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.972 0 O5'-C5'-C4' 114.805 3.289 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.566 -3.444 0 P-O3'-C3' 123.766 3.388 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.574 -2.77 0 P-O5'-C5' 116.793 -2.567 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.567 -3.333 0 P-O5'-C5' 114.953 -3.717 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.565 -3.504 0 OP1-P-OP2 116.636 -1.976 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.151 0 OP1-P-OP2 116.469 -2.087 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.226 0 OP1-P-OP2 116.271 -2.22 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.41 0 O4'-C1'-C2' 103.491 -2.372 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.102 0 OP1-P-OP2 117.151 -1.633 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.116 0 OP1-P-OP2 116.622 -1.986 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.008 0 P-O3'-C3' 123.749 3.374 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.762 0 OP1-P-OP2 115.592 -2.672 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.748 0 OP1-P-OP2 116.015 -2.39 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.526 0 OP1-P-OP2 116.486 -2.076 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.507 0 OP1-P-OP2 116.427 -2.115 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.018 0 OP1-P-OP2 115.69 -2.606 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.861 0 O5'-C5'-C4' 114.645 3.175 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.748 0 OP1-P-OP2 114.911 -3.126 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.32 0 OP1-P-OP2 116.238 -2.241 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.564 -2.908 0 OP1-P-OP2 116.766 -1.89 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.564 -3.555 1 P-O3'-C3' 124.601 4.084 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.572 -2.898 0 O4'-C1'-C2' 103.871 -2.026 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.573 -2.837 0 OP1-P-OP2 115.669 -2.62 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.568 -3.275 0 P-O5'-C5' 116.363 -2.835 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.409 0 P-O3'-C3' 124.058 3.631 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.574 -2.754 0 O4'-C1'-C2' 102.168 -3.575 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.559 -3.984 0 P-O3'-C3' 123.557 3.214 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.566 -3.413 0 P-O3'-C3' 123.705 3.338 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.572 -2.934 0 OP1-P-OP2 116.676 -1.949 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.703 0 P-O3'-C3' 123.546 3.205 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.707 0 OP1-P-OP2 116.541 -2.039 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.032 0 O4'-C1'-C2' 102.722 -3.071 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.5 mtm . . . . . 0 N--CA 1.493 1.688 0 N-CA-C 112.076 0.399 . . . . 1.0 112.076 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 57.94 40.02 26.07 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 125.963 1.705 . . . . 1.0 114.667 176.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.4 p -100.17 -8.41 9.05 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 C-N-CA 124.925 1.29 . . . . 1.0 110.134 -175.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -157.97 166.49 32.45 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 106.941 -1.503 . . . . 1.0 106.941 168.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -85.46 -32.95 22.01 Favored 'General case' 0 CA--C 1.515 -0.393 0 O-C-N 119.874 -1.766 . . . . 1.0 112.16 -177.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.9 m -63.11 152.21 7.76 Favored 'Isoleucine or valine' 0 C--N 1.346 0.429 0 N-CA-C 115.603 1.705 . . . . 1.0 115.603 178.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 75.5 mt -117.04 121.33 67.53 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 N-CA-C 106.582 -1.636 . . . . 1.0 106.582 162.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -123.86 122.74 38.81 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 125.134 1.374 . . . . 1.0 111.094 -176.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 16.8 ptp -150.62 139.59 20.98 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 121.123 -0.986 . . . . 1.0 110.441 174.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.481 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 21.2 mm100 51.39 38.34 21.53 Favored 'General case' 0 C--N 1.348 0.522 0 C-N-CA 126.559 1.944 . . . . 1.0 116.061 176.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.04 3.59 90.65 Favored Glycine 0 C--N 1.349 1.261 0 O-C-N 120.602 -1.311 . . . . 1.0 114.914 -178.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.8 tp -114.27 128.27 56.28 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 124.722 1.209 . . . . 1.0 108.46 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.6 t -133.0 134.07 43.98 Favored 'General case' 0 CA--C 1.512 -0.492 0 O-C-N 120.736 -1.228 . . . . 1.0 110.702 -175.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 tt -127.76 133.99 49.5 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.434 1.494 . . . . 1.0 109.872 -173.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -116.54 113.25 40.69 Favored Pre-proline 0 C--N 1.348 0.529 0 O-C-N 121.201 -0.937 . . . . 1.0 109.033 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -61.68 -36.09 76.78 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 123.211 2.607 . . . . 1.0 113.728 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.2 m -66.29 -43.43 86.34 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 123.83 0.852 . . . . 1.0 112.856 -173.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.1 p -100.31 -2.6 33.23 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 121.059 -1.026 . . . . 1.0 112.917 -176.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.2 m170 68.66 26.63 6.2 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 126.185 1.794 . . . . 1.0 113.961 175.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -121.08 134.76 55.27 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 121.689 -0.632 . . . . 1.0 112.13 -164.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.8 t -116.54 128.28 73.93 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 C-N-CA 125.332 1.453 . . . . 1.0 109.984 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 96.8 mmm -118.78 140.45 49.93 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.338 1.455 . . . . 1.0 110.651 -175.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.87 106.45 12.07 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 121.211 -0.931 . . . . 1.0 108.63 168.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.91 -121.44 25.07 Favored Glycine 0 C--N 1.348 1.211 0 O-C-N 119.602 -1.937 . . . . 1.0 112.701 -160.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -98.51 3.09 48.14 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 121.285 -1.126 . . . . 1.0 111.779 174.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -85.53 124.62 71.18 Favored Pre-proline 0 C--N 1.35 0.626 0 C-N-CA 124.987 1.315 . . . . 1.0 111.687 -177.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -93.44 122.44 0.45 Allowed 'Trans proline' 0 N--CA 1.458 -0.566 0 CA-C-N 121.802 1.679 . . . . 1.0 111.001 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.4 mt -92.64 165.19 13.1 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.691 0.796 . . . . 1.0 111.298 -175.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -131.1 133.86 46.04 Favored 'General case' 0 C--N 1.345 0.392 0 O-C-N 120.951 -1.093 . . . . 1.0 111.466 -176.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 22.6 ptp -154.16 174.07 15.24 Favored 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 121.134 -0.979 . . . . 1.0 109.895 176.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -86.98 169.1 39.87 Favored Glycine 0 C--N 1.353 1.493 0 O-C-N 120.844 -1.16 . . . . 1.0 111.993 175.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -69.94 -30.41 21.49 Favored 'Trans proline' 0 C--N 1.324 -0.724 0 C-N-CA 122.985 2.457 . . . . 1.0 112.411 -173.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.2 m -67.26 -42.45 83.87 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 119.196 0.907 . . . . 1.0 112.183 172.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.4 -42.56 98.92 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 120.913 -1.117 . . . . 1.0 111.716 172.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -60.44 -46.76 88.88 Favored 'General case' 0 C--N 1.351 0.647 0 C-N-CA 123.974 0.91 . . . . 1.0 113.32 175.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -64.29 -40.1 95.26 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 120.291 -1.505 . . . . 1.0 113.332 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.8 tp -63.48 -44.64 93.82 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 124.817 1.247 . . . . 1.0 112.972 171.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.4 tp -62.54 -40.16 95.89 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 120.876 -1.14 . . . . 1.0 112.643 175.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -58.17 -40.74 82.22 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 120.431 -1.418 . . . . 1.0 112.838 172.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -64.99 -43.05 93.84 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.783 -1.198 . . . . 1.0 113.262 172.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -62.89 -43.17 99.52 Favored 'General case' 0 C--N 1.347 0.491 0 O-C-N 120.43 -1.418 . . . . 1.0 114.584 173.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 62.5 mmm -61.55 -32.31 72.37 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 120.503 -1.373 . . . . 1.0 113.407 177.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.5 p -87.41 -3.47 59.02 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 120.247 -1.533 . . . . 1.0 113.067 173.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 65.2 m80 -140.44 64.87 25.42 Favored Pre-proline 0 C--N 1.354 0.772 0 O-C-N 120.221 -1.549 . . . . 1.0 114.332 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -75.75 156.88 39.77 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.965 2.443 . . . . 1.0 112.887 176.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 62.34 39.55 12.12 Favored 'General case' 0 C--N 1.348 0.537 0 C-N-CA 126.586 1.955 . . . . 1.0 115.115 169.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -151.75 146.03 25.44 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.053 -1.091 . . . . 1.0 108.053 177.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.9 t -92.14 133.33 33.91 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 O-C-N 120.381 -1.45 . . . . 1.0 111.279 -172.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -123.8 127.77 48.57 Favored 'General case' 0 CA--C 1.507 -0.687 0 C-N-CA 125.082 1.353 . . . . 1.0 107.886 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 86.0 p -72.3 162.88 28.85 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 122.075 0.94 . . . . 1.0 111.01 171.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 74.8 mtt85 -60.14 -35.97 76.49 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 120.628 -1.295 . . . . 1.0 111.623 175.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -60.02 -43.57 95.16 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 114.354 1.242 . . . . 1.0 114.354 171.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -64.86 -43.75 91.99 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 119.986 -1.697 . . . . 1.0 111.822 175.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.01 -42.61 99.34 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.94 -1.1 . . . . 1.0 113.441 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.1 mt -61.73 -47.97 82.84 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 120.214 -1.554 . . . . 1.0 114.613 176.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -68.98 -40.91 78.52 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 120.693 -1.254 . . . . 1.0 113.79 177.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -67.82 -42.19 81.89 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 115.56 1.689 . . . . 1.0 115.56 174.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.3 t -99.86 -60.54 2.73 Favored 'Isoleucine or valine' 0 C--N 1.35 0.609 0 O-C-N 120.079 -1.638 . . . . 1.0 111.792 -170.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 8.4 m-90 -67.55 -43.04 81.67 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 121.012 -1.055 . . . . 1.0 112.147 -177.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 130.91 158.76 9.35 Favored Glycine 0 C--N 1.345 1.067 0 CA-C-O 122.928 1.293 . . . . 1.0 113.264 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 36.8 p -82.65 -20.17 36.8 Favored 'General case' 0 CA--C 1.515 -0.368 0 O-C-N 120.778 -1.424 . . . . 1.0 114.152 -172.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -115.46 15.19 16.76 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-O 122.532 1.158 . . . . 1.0 110.099 178.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.8 t -92.85 142.71 12.77 Favored 'Isoleucine or valine' 0 C--N 1.345 0.387 0 C-N-CA 124.895 1.278 . . . . 1.0 109.086 174.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -127.3 119.21 25.78 Favored 'General case' 0 C--N 1.342 0.273 0 O-C-N 120.726 -1.234 . . . . 1.0 111.907 -172.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.7 m -153.31 166.04 1.45 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.466 0 C-N-CA 126.007 1.723 . . . . 1.0 106.613 175.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -68.43 155.81 39.13 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 124.28 1.032 . . . . 1.0 112.171 173.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -57.84 -31.71 66.92 Favored 'General case' 0 C--N 1.346 0.44 0 C-N-CA 125.006 1.322 . . . . 1.0 111.785 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -89.48 5.96 43.05 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.656 1.182 . . . . 1.0 113.472 -174.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.4 m -74.85 -21.22 59.39 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 119.676 -1.89 . . . . 1.0 110.648 165.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.4 t -64.31 -47.27 90.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 O-C-N 120.194 -1.566 . . . . 1.0 112.189 167.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.2 -43.82 87.8 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 125.981 1.712 . . . . 1.0 113.256 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.81 -42.63 96.52 Favored 'Isoleucine or valine' 0 C--N 1.349 0.548 0 C-N-CA 124.59 1.156 . . . . 1.0 112.447 173.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -69.62 -31.81 70.15 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 119.249 -2.157 . . . . 1.0 113.922 174.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.1 mm -61.8 -42.76 95.72 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 O-C-N 120.676 -1.265 . . . . 1.0 111.928 169.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -60.08 -45.94 91.21 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 121.007 -1.058 . . . . 1.0 112.515 171.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -62.12 -41.56 98.35 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 120.784 -1.197 . . . . 1.0 113.401 174.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.2 tp -62.88 -44.15 96.87 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 120.371 -1.456 . . . . 1.0 113.831 174.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -61.37 -44.19 97.58 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 119.971 -1.706 . . . . 1.0 113.314 171.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -60.76 -40.85 94.01 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 120.942 -1.099 . . . . 1.0 113.176 175.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.92 94.08 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 114.91 1.448 . . . . 1.0 114.91 174.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.0 mt -96.74 -6.35 36.49 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 120.644 -1.285 . . . . 1.0 112.349 -172.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -63.81 -43.66 77.01 Favored Pre-proline 0 C--N 1.351 0.652 0 N-CA-C 114.922 1.453 . . . . 1.0 114.922 174.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -60.19 -26.22 82.0 Favored 'Trans proline' 0 CA--C 1.516 -0.416 0 CA-C-N 124.158 2.521 . . . . 1.0 114.212 170.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -90.78 -0.24 75.54 Favored Glycine 0 C--N 1.348 1.204 0 C-N-CA 124.592 1.091 . . . . 1.0 113.971 174.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.95 28.27 73.73 Favored Glycine 0 C--N 1.347 1.163 0 N-CA-C 117.235 1.654 . . . . 1.0 117.235 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.481 ' CE1' ' O ' ' A' ' 10' ' ' GLN . 99.1 m-70 -130.31 17.41 5.46 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 121.242 -1.152 . . . . 1.0 113.621 -176.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -55.12 -40.45 70.52 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 126.78 2.032 . . . . 1.0 114.51 169.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -71.74 -14.74 62.1 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 126.979 2.112 . . . . 1.0 114.388 -170.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 79.4 mtp -62.05 -34.93 77.17 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 120.508 -1.37 . . . . 1.0 112.694 169.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.7 t -74.77 105.65 3.97 Favored 'Isoleucine or valine' 0 C--N 1.351 0.671 0 C-N-CA 124.049 0.94 . . . . 1.0 110.56 174.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -113.7 156.01 24.53 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 126.142 1.777 . . . . 1.0 110.791 -171.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 53.4 m -118.56 132.64 56.2 Favored 'General case' 0 CA--C 1.51 -0.576 0 O-C-N 121.233 -0.917 . . . . 1.0 111.159 -169.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 92.6 t -117.22 112.76 40.41 Favored 'Isoleucine or valine' 0 C--N 1.348 0.519 0 C-N-CA 125.055 1.342 . . . . 1.0 108.55 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.6 ttt85 -60.4 121.06 11.12 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 120.642 -1.286 . . . . 1.0 113.44 -175.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.65 -3.47 78.71 Favored Glycine 0 C--N 1.347 1.166 0 C-N-CA 125.199 1.381 . . . . 1.0 114.653 172.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 53.2 m -126.42 -33.78 2.54 Favored 'General case' 0 CA--C 1.515 -0.382 0 O-C-N 121.029 -1.277 . . . . 1.0 110.521 -178.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 147.84 -137.28 6.44 Favored Glycine 0 C--N 1.355 1.614 0 O-C-N 119.632 -1.917 . . . . 1.0 114.553 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -133.7 162.49 31.81 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 121.702 -0.881 . . . . 1.0 110.264 -172.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -143.41 142.94 31.42 Favored 'General case' 0 C--N 1.347 0.472 0 C-N-CA 124.953 1.301 . . . . 1.0 107.645 -174.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -113.29 124.82 53.39 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 107.098 -1.445 . . . . 1.0 107.098 176.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.7 t -126.38 132.68 51.49 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 120.613 -1.304 . . . . 1.0 113.324 -165.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.7 p -93.51 11.57 28.15 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 126.557 1.943 . . . . 1.0 112.06 -175.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -78.53 -21.48 48.75 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 120.47 -1.394 . . . . 1.0 113.312 177.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 . . . . . 0 C--O 1.262 1.746 0 CA-C-O 117.325 -1.321 . . . . 1.0 114.159 -165.592 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.536 0 O5'-C5'-C4' 114.224 2.874 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.101 0 OP1-P-OP2 115.524 -2.717 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.566 -2.735 0 OP1-P-OP2 116.722 -1.919 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.568 -3.236 0 C5'-C4'-C3' 119.606 3.27 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.569 -3.192 0 P-O5'-C5' 115.698 -3.251 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.565 -3.48 1 P-O3'-C3' 126.807 5.922 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.569 -3.175 0 OP1-P-OP2 116.636 -1.976 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.573 -2.797 0 OP1-P-OP2 116.508 -2.062 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.417 0 OP1-P-OP2 115.662 -2.626 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.348 0 OP1-P-OP2 115.989 -2.407 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.562 -3.768 0 P-O3'-C3' 122.79 2.575 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.571 -3.037 0 O4'-C1'-C2' 103.342 -2.507 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.455 0 P-O3'-C3' 123.395 3.079 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.665 0 OP1-P-OP2 115.507 -2.728 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.985 0 OP1-P-OP2 116.278 -2.214 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.959 0 O5'-C5'-C4' 113.452 2.323 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.695 0 O5'-C5'-C4' 114.142 2.816 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.772 0 P-O5'-C5' 117.091 -2.381 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.558 -4.066 0 P-O3'-C3' 124.315 3.846 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.584 0 OP1-P-OP2 116.823 -1.851 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.711 1 P-O3'-C3' 124.523 4.019 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.112 0 O4'-C1'-C2' 102.517 -3.258 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.297 0 OP1-P-OP2 116.373 -2.151 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.773 0 P-O5'-C5' 115.464 -3.398 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.466 0 P-O3'-C3' 124.121 3.684 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.032 0 O4'-C1'-C2' 102.989 -2.828 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.452 0 P-O3'-C3' 123.024 2.77 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.287 0 OP1-P-OP2 115.809 -2.527 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.57 -3.061 0 OP1-P-OP2 115.248 -2.901 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.25 0 P-O3'-C3' 122.722 2.519 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.311 0 OP1-P-OP2 116.837 -1.842 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.167 0 OP1-P-OP2 115.849 -2.501 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.7 tpp . . . . . 0 N--CA 1.482 1.154 0 CA-C-O 119.226 -0.416 . . . . 1.0 111.538 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.21 17.72 1.73 Allowed 'General case' 0 C--N 1.354 0.768 0 O-C-N 120.217 -1.552 . . . . 1.0 114.297 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.2 p -124.37 -16.3 4.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 O-C-N 120.367 -1.458 . . . . 1.0 110.775 173.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.52 9.5 7.15 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 125.931 1.692 . . . . 1.0 110.572 -178.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -152.34 122.01 6.92 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 124.021 0.929 . . . . 1.0 110.22 -170.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.5 p -35.49 133.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.605 0 C-N-CA 128.6 2.76 . . . . 1.0 117.802 175.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.1 mt -107.35 118.21 54.64 Favored 'Isoleucine or valine' 0 C--N 1.345 0.38 0 N-CA-C 106.873 -1.529 . . . . 1.0 106.873 176.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -123.24 113.52 19.03 Favored 'General case' 0 C--N 1.345 0.404 0 O-C-N 121.301 -0.875 . . . . 1.0 109.423 -175.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 19.4 ptt? -158.67 148.05 19.12 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 121.169 -0.957 . . . . 1.0 110.997 174.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.449 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 24.6 mm100 57.28 35.8 26.54 Favored 'General case' 0 C--N 1.347 0.457 0 C-N-CA 126.915 2.086 . . . . 1.0 114.628 -178.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.72 6.17 88.4 Favored Glycine 0 C--N 1.349 1.268 0 O-C-N 120.556 -1.34 . . . . 1.0 114.375 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.0 tp -120.34 129.9 54.19 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 125.082 1.353 . . . . 1.0 109.025 -175.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 93.9 p -124.18 130.67 52.94 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 120.785 -1.197 . . . . 1.0 111.913 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 tt -126.78 125.62 42.02 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 120.853 -1.154 . . . . 1.0 109.885 -176.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -108.79 109.06 61.18 Favored Pre-proline 0 C--O 1.237 0.439 0 C-N-CA 124.699 1.2 . . . . 1.0 109.434 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -67.47 -25.83 41.17 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.78 2.32 . . . . 1.0 113.968 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.9 m -63.38 -45.81 89.39 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 124.23 1.012 . . . . 1.0 112.645 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.2 p -107.45 -4.6 18.32 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 120.872 -1.143 . . . . 1.0 114.004 -178.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.3 m170 64.04 44.67 4.51 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 125.731 1.612 . . . . 1.0 113.523 -172.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -111.41 130.02 55.83 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 120.932 -1.105 . . . . 1.0 111.012 -175.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.8 t -119.51 131.93 70.73 Favored 'Isoleucine or valine' 0 C--N 1.349 0.576 0 N-CA-C 108.445 -0.946 . . . . 1.0 108.445 176.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 70.8 mtp -130.77 150.38 51.98 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 120.642 -1.286 . . . . 1.0 110.693 175.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.24 108.87 17.86 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 105.969 -1.863 . . . . 1.0 105.969 168.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 55.95 -116.74 7.66 Favored Glycine 0 C--N 1.348 1.244 0 O-C-N 120.703 -1.248 . . . . 1.0 113.69 -164.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -105.38 19.43 20.6 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 123.864 0.866 . . . . 1.0 112.292 174.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -109.24 117.59 52.93 Favored Pre-proline 0 C--N 1.351 0.64 0 O-C-N 120.528 -1.358 . . . . 1.0 110.607 177.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.7 144.85 22.49 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.991 2.46 . . . . 1.0 112.963 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.2 mp -96.49 159.93 14.68 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 124.639 1.176 . . . . 1.0 111.414 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -123.96 119.48 29.69 Favored 'General case' 0 C--N 1.346 0.413 0 C-N-CA 125.425 1.49 . . . . 1.0 108.633 177.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.0 ptp -155.79 159.19 39.22 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 120.415 -1.428 . . . . 1.0 112.146 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.82 158.01 47.73 Favored Glycine 0 C--N 1.35 1.352 0 O-C-N 120.883 -1.136 . . . . 1.0 114.78 175.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -68.63 -30.73 27.79 Favored 'Trans proline' 0 C--N 1.323 -0.785 0 C-N-CA 123.318 2.679 . . . . 1.0 112.88 -177.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.1 m -67.29 -38.26 84.74 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-O 122.016 0.913 . . . . 1.0 110.954 173.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -41.9 95.2 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 125.125 1.37 . . . . 1.0 111.653 174.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -59.69 -46.35 89.35 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 121.104 -0.998 . . . . 1.0 112.699 173.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -62.45 -40.84 97.92 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 120.911 -1.118 . . . . 1.0 113.221 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.6 tp -65.17 -44.54 88.18 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 114.199 1.185 . . . . 1.0 114.199 170.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.4 tp -62.7 -41.55 99.18 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.364 -1.46 . . . . 1.0 113.049 177.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -59.34 -41.39 89.06 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 121.036 -1.04 . . . . 1.0 112.427 172.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -63.35 -45.9 89.08 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 121.131 -0.981 . . . . 1.0 113.082 175.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -63.89 -44.86 91.74 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 114.551 1.315 . . . . 1.0 114.551 175.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 92.6 mtp -64.67 -34.87 79.32 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.28 -1.513 . . . . 1.0 113.895 177.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.8 p -75.37 -16.73 60.35 Favored 'General case' 0 C--N 1.345 0.395 0 O-C-N 120.494 -1.379 . . . . 1.0 112.941 172.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -134.29 67.65 72.8 Favored Pre-proline 0 C--N 1.353 0.728 0 O-C-N 120.69 -1.256 . . . . 1.0 114.217 -178.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -79.05 160.47 26.86 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 123.276 2.651 . . . . 1.0 112.133 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 61.22 42.57 11.94 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 127.652 2.381 . . . . 1.0 113.203 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -148.88 134.3 18.52 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 120.886 -1.134 . . . . 1.0 110.233 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 20.0 t -85.95 130.38 36.56 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 O-C-N 120.634 -1.291 . . . . 1.0 110.554 176.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -121.37 127.02 50.81 Favored 'General case' 0 CA--C 1.502 -0.887 0 C-N-CA 125.631 1.572 . . . . 1.0 107.584 176.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.5 p -75.08 164.43 26.53 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 121.928 0.871 . . . . 1.0 111.739 172.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.6 mtt85 -60.74 -34.69 74.8 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 120.45 -1.406 . . . . 1.0 111.906 177.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -57.89 -45.0 87.05 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 114.147 1.165 . . . . 1.0 114.147 169.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -65.97 -42.59 89.69 Favored 'General case' 0 C--N 1.359 0.991 0 O-C-N 120.108 -1.62 . . . . 1.0 112.881 174.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.88 -39.99 93.83 Favored 'General case' 0 C--N 1.347 0.491 0 O-C-N 121.02 -1.05 . . . . 1.0 112.918 176.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.8 mt -59.53 -41.06 89.16 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.702 -1.249 . . . . 1.0 114.11 172.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -67.05 -48.34 68.57 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 120.081 -1.637 . . . . 1.0 113.106 170.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -68.35 -44.34 75.48 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 115.914 1.82 . . . . 1.0 115.914 -176.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.6 t -102.49 -36.37 4.39 Favored 'Isoleucine or valine' 0 C--N 1.347 0.473 0 O-C-N 121.142 -0.974 . . . . 1.0 111.703 -170.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 20.8 m-90 -98.22 -11.23 22.91 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 119.984 -1.698 . . . . 1.0 111.496 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.7 1.55 73.77 Favored Glycine 0 C--N 1.342 0.893 0 O-C-N 120.223 -1.548 . . . . 1.0 115.898 165.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . 0.346 0.5 OUTLIER 63.3 -24.73 0.06 Allowed 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 128.331 2.652 . . . . 1.0 117.018 -178.168 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -66.44 -42.27 87.9 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 119.26 -2.15 . . . . 1.0 111.262 168.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.4 t -61.14 136.43 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 C-N-CA 124.92 1.288 . . . . 1.0 111.782 171.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -118.45 120.26 37.03 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 123.156 1.455 . . . . 1.0 111.223 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.5 m -151.0 154.23 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 C-N-CA 126.343 1.857 . . . . 1.0 108.057 -177.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -62.67 151.19 38.9 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 124.935 1.294 . . . . 1.0 111.826 170.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -65.64 -17.55 64.68 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 120.321 -1.487 . . . . 1.0 113.505 -171.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -95.17 6.82 47.99 Favored 'General case' 0 N--CA 1.443 -0.79 0 O-C-N 120.674 -1.266 . . . . 1.0 114.031 -175.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 t -75.59 -18.75 59.63 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 119.312 -2.118 . . . . 1.0 111.008 162.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.6 t -62.27 -48.4 88.57 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 0 O-C-N 120.021 -1.675 . . . . 1.0 111.838 169.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.12 -44.07 87.53 Favored 'General case' 0 C--N 1.35 0.616 0 C-N-CA 126.018 1.727 . . . . 1.0 113.306 177.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 52.9 t -63.94 -44.39 97.95 Favored 'Isoleucine or valine' 0 C--N 1.346 0.424 0 C-N-CA 125.589 1.556 . . . . 1.0 112.42 175.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -66.91 -36.76 83.0 Favored 'General case' 0 C--N 1.344 0.356 0 O-C-N 119.868 -1.77 . . . . 1.0 113.683 175.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.6 mm -59.29 -41.45 84.14 Favored 'Isoleucine or valine' 0 C--N 1.348 0.523 0 O-C-N 120.621 -1.3 . . . . 1.0 112.071 170.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -43.62 95.89 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 120.258 -1.526 . . . . 1.0 113.279 172.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.8 -38.71 92.1 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 124.965 1.306 . . . . 1.0 113.47 175.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.5 tp -61.93 -42.74 99.45 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 124.844 1.258 . . . . 1.0 113.361 173.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -57.25 -45.74 83.69 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 120.311 -1.493 . . . . 1.0 114.156 170.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -61.66 -39.1 90.17 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.578 -1.326 . . . . 1.0 113.454 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.28 -38.82 88.14 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 114.52 1.304 . . . . 1.0 114.52 173.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 77.1 mt -94.97 -4.52 46.54 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 120.884 -1.135 . . . . 1.0 112.792 -174.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -63.16 -41.78 71.75 Favored Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 116.663 2.097 . . . . 1.0 116.663 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -56.79 -40.15 86.3 Favored 'Trans proline' 0 C--N 1.343 0.24 0 CA-C-N 124.907 2.788 . . . . 1.0 115.096 175.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -83.18 -2.6 90.46 Favored Glycine 0 C--N 1.348 1.204 0 N-CA-C 114.684 0.633 . . . . 1.0 114.684 174.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.17 10.2 86.31 Favored Glycine 0 C--N 1.35 1.311 0 O-C-N 120.838 -1.389 . . . . 1.0 115.229 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.449 ' CE1' ' O ' ' A' ' 10' ' ' GLN . 85.9 m-70 -96.58 0.19 49.65 Favored 'General case' 0 C--N 1.344 0.327 0 O-C-N 120.493 -1.592 . . . . 1.0 113.49 -170.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -57.72 -34.4 69.43 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 127.054 2.142 . . . . 1.0 115.048 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -88.86 4.49 47.63 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 124.912 1.285 . . . . 1.0 113.148 -166.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 52.8 mtm -89.32 -3.68 58.39 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 121.138 -0.976 . . . . 1.0 111.967 172.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.4 t -83.32 120.43 34.53 Favored 'Isoleucine or valine' 0 C--N 1.35 0.601 0 N-CA-C 108.132 -1.062 . . . . 1.0 108.132 168.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -108.78 148.16 30.96 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 124.651 1.18 . . . . 1.0 109.452 -174.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 49.7 m -119.53 123.96 45.26 Favored 'General case' 0 CA--C 1.498 -1.037 0 O-C-N 121.302 -0.874 . . . . 1.0 110.791 -173.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.7 t -108.47 108.46 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 C-N-CA 123.93 0.892 . . . . 1.0 108.85 -175.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 48.0 ttm-85 -64.34 120.1 11.57 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-O 122.312 1.053 . . . . 1.0 113.406 -172.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 84.67 2.88 88.59 Favored Glycine 0 CA--C 1.497 -1.051 0 O-C-N 120.801 -1.187 . . . . 1.0 113.795 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.0 m -127.21 -57.3 1.31 Allowed 'General case' 0 CA--C 1.505 -0.775 0 O-C-N 121.563 -0.963 . . . . 1.0 109.599 -176.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 159.36 -137.51 5.17 Favored Glycine 0 C--N 1.349 1.279 0 O-C-N 120.531 -1.356 . . . . 1.0 112.559 -173.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -136.27 161.95 34.33 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.615 0.722 . . . . 1.0 110.432 -170.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 47.3 ttt-85 -150.88 151.66 32.54 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 107.68 -1.23 . . . . 1.0 107.68 -169.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -127.67 147.39 50.38 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.058 -1.651 . . . . 1.0 108.83 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.7 t -149.52 147.42 28.17 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 119.971 -1.706 . . . . 1.0 112.363 178.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.8 p -99.5 6.28 45.93 Favored 'General case' 0 C--N 1.345 0.404 0 C-N-CA 125.126 1.371 . . . . 1.0 111.373 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -62.07 -34.8 76.95 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 115.894 1.813 . . . . 1.0 115.894 -176.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 . . . . . 0 C--O 1.263 1.775 0 C-N-CA 127.085 2.154 . . . . 1.0 115.885 -170.502 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.683 0 O5'-C5'-C4' 114.461 3.043 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.088 0 OP1-P-OP2 115.987 -2.409 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.657 0 P-O5'-C5' 116.708 -2.62 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.568 -3.288 0 P-O5'-C5' 116.124 -2.985 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.561 -3.854 0 P-O3'-C3' 123.905 3.504 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.969 0 O4'-C1'-C2' 103.719 -2.164 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.229 0 OP1-P-OP2 116.003 -2.398 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.381 0 O4'-C1'-C2' 102.054 -3.678 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.179 0 OP1-P-OP2 116.767 -1.889 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.563 -3.676 0 P-O5'-C5' 115.77 -3.206 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.386 0 OP1-P-OP2 116.069 -2.354 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.583 0 P-O5'-C5' 116.14 -2.975 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.91 0 P-O3'-C3' 123.249 2.958 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.599 0 O5'-C5'-C4' 115.026 3.447 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.824 0 OP1-P-OP2 116.384 -2.144 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.407 0 OP1-P-OP2 115.801 -2.532 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.907 0 O5'-C5'-C4' 114.625 3.161 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.56 -3.917 1 P-O3'-C3' 125.367 4.722 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.872 0 OP1-P-OP2 115.603 -2.665 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.169 0 O5'-C5'-C4' 114.066 2.761 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.78 0 OP1-P-OP2 115.799 -2.534 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.258 0 O4'-C1'-C2' 103.552 -2.316 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.756 0 OP1-P-OP2 117.112 -1.659 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.566 -3.393 0 P-O5'-C5' 116.073 -3.017 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.338 0 P-O3'-C3' 123.346 3.038 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.836 0 O4'-C1'-C2' 102.905 -2.905 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.628 0 P-O5'-C5' 116.264 -2.897 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.559 0 P-O3'-C3' 124.009 3.591 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.574 -2.733 0 P-O5'-C5' 115.75 -3.219 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.556 -4.262 1 P-O3'-C3' 125.141 4.534 . . . . 1.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.479 0 OP1-P-OP2 115.479 -2.748 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.332 0 C4'-C3'-O3' 115.784 2.493 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 113.534 0.938 . . . . 1.0 113.534 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.54 -42.94 98.37 Favored 'General case' 0 C--N 1.351 0.655 0 O-C-N 120.543 -1.348 . . . . 1.0 114.143 173.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . 0.257 2.1 t 55.32 53.58 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.72 0 C-N-CA 127.852 2.461 . . . . 1.0 112.149 -179.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -108.87 -11.63 14.99 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 113.14 0.793 . . . . 1.0 113.14 -168.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 54.0 mp0 -68.84 -43.48 75.41 Favored 'General case' 0 N--CA 1.449 -0.489 0 O-C-N 120.619 -1.3 . . . . 1.0 113.525 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 32.7 m -120.22 144.86 27.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 105.786 -1.931 . . . . 1.0 105.786 174.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.2 mt -104.05 110.61 30.81 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.454 0 O-C-N 120.015 -1.678 . . . . 1.0 107.972 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -116.27 125.15 51.79 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 121.639 0.733 . . . . 1.0 111.823 -176.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 13.2 ptp -157.83 145.69 18.68 Favored 'General case' 0 C--N 1.347 0.465 0 C-N-CA 124.051 0.94 . . . . 1.0 109.27 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 tm0? 59.51 28.08 17.39 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 120.207 -1.558 . . . . 1.0 114.631 171.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.16 6.12 87.49 Favored Glycine 0 C--N 1.352 1.456 0 O-C-N 119.28 -2.137 . . . . 1.0 114.933 -174.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.5 tp -117.54 137.08 52.81 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.789 1.636 . . . . 1.0 108.522 -176.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.4 t -137.07 131.86 33.35 Favored 'General case' 0 C--N 1.347 0.463 0 O-C-N 120.358 -1.464 . . . . 1.0 111.328 -178.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 tt -124.71 131.22 53.48 Favored 'General case' 0 C--N 1.345 0.39 0 C-N-CA 124.561 1.144 . . . . 1.0 110.401 -174.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -108.95 112.6 60.02 Favored Pre-proline 0 C--O 1.237 0.438 0 O-C-N 120.664 -1.273 . . . . 1.0 107.705 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -67.01 -32.54 34.67 Favored 'Trans proline' 0 CA--C 1.513 -0.533 0 C-N-CA 122.691 2.26 . . . . 1.0 113.618 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 64.6 m -68.47 -41.81 79.61 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.887 1.275 . . . . 1.0 111.311 -176.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.5 m -96.54 -4.33 41.53 Favored 'General case' 0 CA--C 1.508 -0.663 0 O-C-N 121.68 -0.637 . . . . 1.0 112.175 -176.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.9 m170 61.21 31.47 19.52 Favored 'General case' 0 C--N 1.35 0.593 0 C-N-CA 125.388 1.475 . . . . 1.0 113.499 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -122.11 135.92 54.85 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 120.96 -1.088 . . . . 1.0 112.88 -165.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 44.3 t -117.24 128.05 74.65 Favored 'Isoleucine or valine' 0 C--N 1.348 0.518 0 C-N-CA 124.263 1.025 . . . . 1.0 109.458 -178.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 89.7 mmm -114.68 135.15 54.47 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 125.891 1.677 . . . . 1.0 108.59 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.12 112.47 19.57 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 107.522 -1.288 . . . . 1.0 107.522 173.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.7 -111.11 3.22 Favored Glycine 0 C--N 1.347 1.178 0 O-C-N 120.585 -1.322 . . . . 1.0 113.32 -167.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -106.84 9.09 31.01 Favored 'General case' 0 C--N 1.347 0.457 0 C-N-CA 123.855 0.862 . . . . 1.0 112.528 175.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -114.06 128.42 25.8 Favored Pre-proline 0 C--N 1.351 0.655 0 O-C-N 120.756 -1.215 . . . . 1.0 112.105 -169.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -75.07 139.42 24.09 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 CA-C-N 123.156 2.163 . . . . 1.0 111.649 170.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.4 mt -121.27 155.55 34.42 Favored 'General case' 0 C--N 1.346 0.44 0 CA-C-O 121.84 0.829 . . . . 1.0 109.655 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -116.77 144.15 44.82 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 122.4 1.095 . . . . 1.0 112.875 -171.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -158.26 164.23 36.65 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.095 1.358 . . . . 1.0 107.588 174.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.36 174.47 54.43 Favored Glycine 0 C--N 1.35 1.323 0 O-C-N 121.147 -0.97 . . . . 1.0 113.621 174.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -73.7 -33.02 6.97 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 121.933 1.755 . . . . 1.0 112.907 -168.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 77.4 m -61.32 -42.32 98.48 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 120.388 1.449 . . . . 1.0 111.988 172.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -63.71 -42.04 98.0 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 120.809 -1.182 . . . . 1.0 112.435 172.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -61.27 -45.91 92.54 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.964 -1.085 . . . . 1.0 113.551 175.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -62.29 -42.1 99.06 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 120.213 -1.554 . . . . 1.0 112.946 176.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.2 tp -63.3 -43.11 98.8 Favored 'General case' 0 C--N 1.347 0.497 0 O-C-N 121.226 -0.921 . . . . 1.0 112.811 174.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.8 tp -63.34 -41.63 98.89 Favored 'General case' 0 C--N 1.346 0.453 0 O-C-N 120.785 -1.197 . . . . 1.0 113.685 174.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -59.78 -41.83 92.01 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 120.418 -1.426 . . . . 1.0 112.604 172.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -62.51 -45.95 90.65 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.964 -1.085 . . . . 1.0 112.682 173.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -63.27 -43.31 98.32 Favored 'General case' 0 C--N 1.347 0.471 0 N-CA-C 114.945 1.461 . . . . 1.0 114.945 174.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 95.0 mtp -74.76 -16.11 60.74 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 119.536 -1.978 . . . . 1.0 113.428 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.1 p -94.46 -0.22 54.89 Favored 'General case' 0 C--N 1.346 0.426 0 O-C-N 120.658 -1.276 . . . . 1.0 110.674 170.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -144.67 64.42 11.65 Favored Pre-proline 0 C--N 1.35 0.604 0 O-C-N 120.317 -1.489 . . . . 1.0 114.424 175.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.37 154.96 56.06 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.794 2.329 . . . . 1.0 113.228 173.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 62.72 39.71 10.78 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 127.926 2.49 . . . . 1.0 114.726 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -147.33 131.63 17.5 Favored 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 120.669 -1.269 . . . . 1.0 110.119 177.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.5 t -77.48 133.56 30.38 Favored 'Isoleucine or valine' 0 C--N 1.348 0.538 0 O-C-N 120.926 -1.109 . . . . 1.0 111.974 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -125.41 128.13 47.63 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 107.847 -1.168 . . . . 1.0 107.847 173.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 92.3 p -69.97 164.75 23.22 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 122.371 1.081 . . . . 1.0 112.595 170.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 73.2 mtt85 -59.84 -36.86 77.72 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 120.755 -1.216 . . . . 1.0 112.594 176.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -58.81 -44.58 90.85 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.929 -1.107 . . . . 1.0 113.904 169.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -67.66 -41.73 83.32 Favored 'General case' 0 C--N 1.359 1.005 0 O-C-N 120.444 -1.41 . . . . 1.0 112.452 177.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 97.0 mt -61.14 -41.84 97.46 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 120.858 -1.151 . . . . 1.0 113.055 174.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.4 mt -60.61 -47.01 88.12 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.735 -1.228 . . . . 1.0 113.456 171.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -65.7 -44.62 85.6 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 121.048 -1.032 . . . . 1.0 113.01 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -67.76 -44.28 77.88 Favored 'General case' 0 C--N 1.349 0.578 0 N-CA-C 114.907 1.447 . . . . 1.0 114.907 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 81.4 t -99.07 -63.0 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.682 0 O-C-N 120.548 -1.345 . . . . 1.0 111.766 -168.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 13.5 m-90 -67.39 -41.54 84.83 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 124.622 1.169 . . . . 1.0 112.74 -178.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.25 -169.43 13.64 Favored Glycine 0 C--N 1.348 1.235 0 CA-C-O 122.655 1.142 . . . . 1.0 114.21 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.8 p -102.65 -22.65 13.93 Favored 'General case' 0 C--N 1.344 0.351 0 O-C-N 121.122 -1.222 . . . . 1.0 111.794 -172.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -103.74 27.41 7.53 Favored 'General case' 0 C--N 1.346 0.426 0 O-C-N 120.128 -1.608 . . . . 1.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.2 t -116.46 137.37 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 C-N-CA 125.21 1.404 . . . . 1.0 108.129 177.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -124.26 9.17 8.55 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 122.891 1.329 . . . . 1.0 114.401 -152.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.2 m -57.82 148.83 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 127.388 2.275 . . . . 1.0 115.217 177.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -55.91 162.7 1.73 Allowed 'General case' 0 C--N 1.348 0.507 0 C-N-CA 126.186 1.794 . . . . 1.0 113.503 166.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -61.89 -32.12 72.47 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 119.936 -1.727 . . . . 1.0 112.525 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -95.03 8.56 42.53 Favored 'General case' 0 N--CA 1.443 -0.822 0 O-C-N 120.668 -1.27 . . . . 1.0 113.797 -160.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.9 t -75.77 -21.87 56.99 Favored 'General case' 0 C--N 1.352 0.684 0 O-C-N 120.204 -1.56 . . . . 1.0 111.203 159.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 38.8 t -63.31 -48.04 89.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 O-C-N 119.799 -1.813 . . . . 1.0 111.512 171.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.11 -43.16 91.89 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 126.094 1.758 . . . . 1.0 113.295 177.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 77.6 t -63.82 -44.64 98.23 Favored 'Isoleucine or valine' 0 C--N 1.349 0.55 0 C-N-CA 124.283 1.033 . . . . 1.0 112.29 173.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -65.98 -32.62 74.21 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 120.044 -1.66 . . . . 1.0 113.601 175.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.5 mm -62.16 -41.83 92.82 Favored 'Isoleucine or valine' 0 C--N 1.345 0.383 0 O-C-N 120.715 -1.241 . . . . 1.0 112.392 169.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -37.65 85.05 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 120.312 -1.492 . . . . 1.0 112.022 172.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . 0.285 95.8 mtt180 -67.46 -33.14 74.51 Favored 'General case' 0 CA--C 1.563 1.48 0 CA-C-N 119.77 1.168 . . . . 1.0 112.51 174.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . 0.265 38.9 tp -73.09 -33.54 65.67 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-N 119.849 1.204 . . . . 1.0 113.607 174.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -65.2 -40.35 94.07 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 119.715 1.143 . . . . 1.0 113.95 167.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -60.9 -42.83 98.8 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 120.771 -1.206 . . . . 1.0 112.57 174.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.19 -39.08 93.63 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 115.528 1.677 . . . . 1.0 115.528 174.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.1 mt -99.33 5.27 46.54 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 121.232 -0.918 . . . . 1.0 111.992 -174.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -57.29 -43.42 99.13 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-O 115.988 -1.958 . . . . 1.0 115.668 172.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -54.11 125.31 18.38 Favored 'Trans proline' 0 C--N 1.346 0.433 0 CA-C-N 124.846 2.767 . . . . 1.0 114.472 168.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.04 0.95 84.34 Favored Glycine 0 C--N 1.343 0.935 0 N-CA-C 115.442 0.937 . . . . 1.0 115.442 -176.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 73.49 39.64 49.64 Favored Glycine 0 C--N 1.349 1.301 0 O-C-N 120.767 -1.431 . . . . 1.0 116.371 173.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -102.87 -5.99 22.98 Favored 'General case' 0 C--N 1.348 0.543 0 O-C-N 121.003 -1.293 . . . . 1.0 112.505 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -53.21 -36.33 60.88 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 126.103 1.761 . . . . 1.0 114.731 170.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -67.72 -15.64 63.74 Favored 'General case' 0 C--N 1.345 0.374 0 N-CA-C 115.737 1.755 . . . . 1.0 115.737 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 84.1 mtp -61.63 -35.63 78.47 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 120.598 -1.314 . . . . 1.0 112.913 173.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.9 t -72.97 106.89 3.24 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 C-N-CA 124.406 1.082 . . . . 1.0 111.39 174.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -102.2 152.88 20.51 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.868 1.667 . . . . 1.0 110.763 -177.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.3 m -116.78 132.6 56.65 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-O 122.13 0.967 . . . . 1.0 110.068 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.9 t -114.38 105.2 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 C-N-CA 124.316 1.046 . . . . 1.0 108.382 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 66.6 ttt-85 -55.02 114.48 1.77 Allowed 'General case' 0 C--N 1.353 0.746 0 C-N-CA 125.634 1.574 . . . . 1.0 114.47 -174.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.25 -1.64 87.54 Favored Glycine 0 C--N 1.347 1.189 0 C-N-CA 124.49 1.043 . . . . 1.0 114.154 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 56.9 m -122.9 -44.83 2.18 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 118.684 1.242 . . . . 1.0 110.984 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 152.77 -136.07 5.2 Favored Glycine 0 C--N 1.35 1.324 0 O-C-N 119.531 -1.98 . . . . 1.0 113.797 -175.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -137.84 162.93 32.68 Favored 'General case' 0 C--N 1.344 0.355 0 O-C-N 121.435 -1.038 . . . . 1.0 111.167 -171.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -147.89 155.57 41.75 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 124.349 1.06 . . . . 1.0 108.772 -176.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -121.51 141.65 50.83 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 120.337 -1.477 . . . . 1.0 108.828 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.0 t -142.32 139.97 32.0 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.183 -1.573 . . . . 1.0 113.459 -174.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.0 p -100.23 0.95 41.33 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 126.325 1.85 . . . . 1.0 112.077 -176.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -74.32 -16.16 60.93 Favored 'General case' 0 C--N 1.349 0.569 0 N-CA-C 115.806 1.78 . . . . 1.0 115.806 -169.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 . . . . . 0 C--O 1.261 1.67 0 C-N-CA 124.373 1.069 . . . . 1.0 112.727 -176.389 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.459 0 O5'-C5'-C4' 113.965 2.689 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.962 0 OP1-P-OP2 115.993 -2.405 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.153 0 P-O5'-C5' 115.373 -3.455 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.563 -3.659 0 P-O5'-C5' 116.145 -2.972 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.979 0 P-O3'-C3' 122.464 2.303 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.692 0 OP1-P-OP2 116.381 -2.146 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.556 0 OP1-P-OP2 116.518 -2.054 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.574 -2.743 0 OP1-P-OP2 115.899 -2.467 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.56 -3.938 0 P-O3'-C3' 123.632 3.277 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.195 0 P-O5'-C5' 117.069 -2.394 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.182 0 OP1-P-OP2 116.726 -1.916 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.882 1 O4'-C1'-C2' 100.429 -5.155 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.879 0 OP1-P-OP2 116.478 -2.081 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.207 0 OP1-P-OP2 116.775 -1.883 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.438 0 P-O3'-C3' 122.886 2.655 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.823 0 OP1-P-OP2 116.735 -1.91 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.765 0 O5'-C5'-C4' 114.574 3.124 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.561 1 O4'-C1'-C2' 101.236 -4.421 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.561 -3.823 0 P-O3'-C3' 123.858 3.465 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.167 0 O4'-C1'-C2' 103.615 -2.259 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.568 -3.238 0 OP1-P-OP2 115.712 -2.592 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.561 -3.838 0 P-O3'-C3' 123.185 2.904 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.878 0 OP1-P-OP2 116.055 -2.363 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.56 -3.933 0 OP1-P-OP2 115.292 -2.872 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.561 -3.848 1 P-O3'-C3' 125.722 5.018 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.571 -3.02 1 O4'-C1'-C2' 101.281 -4.381 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.557 -4.192 0 P-O3'-C3' 124.394 3.911 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.555 -4.367 1 P-O3'-C3' 126.081 5.318 . . . . 1.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.767 0 O5'-C5'-C4' 113.042 2.03 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.946 0 OP1-P-OP2 116.292 -2.205 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.539 0 OP1-P-OP2 116.036 -2.376 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.415 0 OP1-P-OP2 115.844 -2.504 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.433 ' H1 ' ' CD ' ' A' ' 4' ' ' GLU . 23.7 mmt . . . . . 0 N--CA 1.485 1.304 0 N-CA-C 113.204 0.816 . . . . 1.0 113.204 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.54 27.02 0.92 Allowed 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 120.971 -1.081 . . . . 1.0 110.244 -174.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.1 t 78.12 102.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.35 0.597 0 C-N-CA 127.069 2.148 . . . . 1.0 109.634 -171.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.433 ' CD ' ' H1 ' ' A' ' 1' ' ' MET . 2.6 mp0 -95.28 1.87 54.62 Favored 'General case' 0 C--N 1.346 0.439 0 O-C-N 120.293 -1.505 . . . . 1.0 110.684 -172.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.4 -39.23 91.92 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 124.897 1.279 . . . . 1.0 112.646 166.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.7 t -60.32 137.93 22.0 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 C-N-CA 125.988 1.715 . . . . 1.0 111.365 172.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.6 mt -113.79 125.91 71.16 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 O-C-N 120.305 -1.497 . . . . 1.0 108.237 177.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -118.28 119.75 35.59 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 124.491 1.116 . . . . 1.0 110.688 176.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.1 ptp -150.56 142.82 24.2 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.59 -1.319 . . . . 1.0 110.344 169.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.422 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 24.6 mm100 51.82 35.62 15.93 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 116.266 1.95 . . . . 1.0 116.266 174.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.58 6.14 89.5 Favored Glycine 0 C--N 1.349 1.302 0 O-C-N 120.052 -1.655 . . . . 1.0 115.296 -177.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.6 tp -116.62 130.92 57.02 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 124.518 1.127 . . . . 1.0 109.002 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 90.3 p -128.73 135.57 49.39 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 120.988 -1.07 . . . . 1.0 112.533 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.6 tt -129.03 124.91 36.13 Favored 'General case' 0 C--N 1.344 0.345 0 O-C-N 120.82 -1.175 . . . . 1.0 109.602 -177.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -114.74 109.01 48.16 Favored Pre-proline 0 C--O 1.239 0.527 0 C-N-CA 125.815 1.646 . . . . 1.0 108.146 -177.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -63.08 -30.43 75.64 Favored 'Trans proline' 0 CA--C 1.51 -0.717 0 C-N-CA 123.029 2.486 . . . . 1.0 114.414 176.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.8 m -60.12 -44.46 94.88 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 119.632 1.105 . . . . 1.0 113.322 -173.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.3 m -104.63 -1.52 26.29 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 121.081 -1.012 . . . . 1.0 112.311 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.3 m170 71.66 39.82 0.84 Allowed 'General case' 0 CA--C 1.509 -0.615 0 C-N-CA 125.952 1.701 . . . . 1.0 110.333 174.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.8 ptt180 -123.09 136.67 54.9 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-O 122.471 1.129 . . . . 1.0 112.599 -166.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.0 t -113.87 135.55 53.16 Favored 'Isoleucine or valine' 0 C--N 1.346 0.433 0 N-CA-C 107.433 -1.321 . . . . 1.0 107.433 177.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 92.6 mtp -136.04 157.94 45.6 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 120.816 -1.177 . . . . 1.0 109.227 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.66 110.55 16.11 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 121.116 -0.99 . . . . 1.0 109.129 170.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.64 -108.4 1.96 Allowed Glycine 0 C--N 1.348 1.204 0 O-C-N 119.827 -1.796 . . . . 1.0 113.332 -168.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -113.32 14.65 19.29 Favored 'General case' 0 C--N 1.346 0.419 0 C-N-CA 123.692 0.797 . . . . 1.0 112.46 169.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -103.35 112.25 65.58 Favored Pre-proline 0 C--N 1.35 0.596 0 O-C-N 119.957 -1.714 . . . . 1.0 111.369 178.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -51.2 146.97 21.85 Favored 'Trans proline' 0 C--N 1.328 -0.547 0 C-N-CA 123.904 3.069 . . . . 1.0 118.383 167.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.6 mt -128.13 162.09 27.72 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.981 1.713 . . . . 1.0 108.515 172.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -131.02 139.74 50.01 Favored 'General case' 0 C--N 1.348 0.515 0 C-N-CA 124.493 1.117 . . . . 1.0 111.487 -171.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.0 ptp -162.55 161.61 26.92 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 120.783 -1.198 . . . . 1.0 111.531 175.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.98 170.12 52.18 Favored Glycine 0 C--N 1.349 1.269 0 O-C-N 119.501 -2.0 . . . . 1.0 114.086 170.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -70.62 -31.6 16.4 Favored 'Trans proline' 0 C--N 1.321 -0.887 0 C-N-CA 123.544 2.83 . . . . 1.0 112.326 -174.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.3 m -64.3 -40.05 95.17 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 119.825 1.193 . . . . 1.0 111.509 175.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.38 -42.41 92.73 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 125.352 1.461 . . . . 1.0 111.824 172.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -61.37 -45.89 92.48 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 120.883 -1.135 . . . . 1.0 113.445 176.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -61.65 -41.93 98.2 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 120.671 -1.268 . . . . 1.0 112.97 175.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.9 tp -62.95 -46.02 89.69 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 123.868 0.867 . . . . 1.0 112.85 173.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.4 tp -64.04 -40.63 96.73 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 120.724 -1.235 . . . . 1.0 113.534 177.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -60.91 -41.21 95.68 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.263 -1.523 . . . . 1.0 113.057 172.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -63.67 -44.21 94.43 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 120.614 -1.304 . . . . 1.0 112.487 173.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -62.38 -44.88 95.42 Favored 'General case' 0 C--N 1.344 0.35 0 N-CA-C 114.675 1.361 . . . . 1.0 114.675 173.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 90.2 mtp -75.05 -16.31 60.59 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 119.44 -2.037 . . . . 1.0 113.241 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.0 p -90.33 -5.36 56.32 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 120.401 -1.437 . . . . 1.0 111.121 170.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -142.81 67.52 18.39 Favored Pre-proline 0 C--N 1.354 0.763 0 N-CA-C 114.522 1.305 . . . . 1.0 114.522 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -76.63 143.96 24.61 Favored 'Trans proline' 0 C--N 1.331 -0.36 0 C-N-CA 123.008 2.472 . . . . 1.0 112.582 176.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 62.33 43.81 7.94 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 128.922 2.889 . . . . 1.0 113.887 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -134.28 118.69 17.83 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 107.308 -1.367 . . . . 1.0 107.308 177.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 19.5 t -68.26 132.34 32.83 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 O-C-N 119.565 -1.959 . . . . 1.0 112.202 177.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -125.86 127.06 45.47 Favored 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 107.051 -1.463 . . . . 1.0 107.051 174.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 93.8 p -59.59 157.69 11.23 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 124.691 1.197 . . . . 1.0 113.143 167.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 86.0 mtt85 -58.73 -35.73 73.17 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.242 -1.536 . . . . 1.0 112.392 172.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.41 -43.82 92.94 Favored 'General case' 0 C--N 1.352 0.694 0 N-CA-C 114.388 1.255 . . . . 1.0 114.388 168.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -64.2 -43.47 94.94 Favored 'General case' 0 C--N 1.36 1.054 0 O-C-N 119.601 -1.937 . . . . 1.0 111.851 174.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.25 -41.92 98.86 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 120.683 -1.261 . . . . 1.0 113.862 176.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.9 mt -60.75 -46.95 88.48 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.36 -1.463 . . . . 1.0 113.494 173.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -65.43 -45.12 85.11 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 121.006 -1.059 . . . . 1.0 113.709 176.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -73.01 -39.24 66.17 Favored 'General case' 0 C--N 1.347 0.489 0 N-CA-C 115.916 1.821 . . . . 1.0 115.916 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.1 t -97.56 -58.29 3.91 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 O-C-N 120.152 -1.593 . . . . 1.0 112.055 -171.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 13.7 m-90 -69.41 -44.41 71.46 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 121.142 -0.974 . . . . 1.0 111.472 178.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 134.62 157.52 8.13 Favored Glycine 0 C--N 1.344 1.002 0 CA-C-O 122.302 0.946 . . . . 1.0 111.53 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.5 p -64.89 -43.58 92.44 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 125.337 1.455 . . . . 1.0 114.347 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -103.52 -12.26 17.24 Favored 'General case' 0 C--N 1.347 0.476 0 C-N-CA 124.297 1.039 . . . . 1.0 111.332 -173.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.1 t -64.43 146.79 12.87 Favored 'Isoleucine or valine' 0 C--N 1.35 0.611 0 C-N-CA 125.681 1.592 . . . . 1.0 109.974 160.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -150.27 153.13 35.63 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 119.787 -1.821 . . . . 1.0 109.945 175.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 m -150.48 179.82 0.52 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 103.34 -2.837 . . . . 1.0 103.34 176.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -69.4 151.38 46.21 Favored 'General case' 0 N--CA 1.44 -0.934 0 O-C-N 120.291 -1.506 . . . . 1.0 110.149 169.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -57.24 -30.17 64.39 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 125.263 1.425 . . . . 1.0 112.231 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -89.27 9.77 24.69 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 114.794 1.405 . . . . 1.0 114.794 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.4 m -76.2 -20.3 57.61 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 119.43 -2.044 . . . . 1.0 110.848 165.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.7 t -63.76 -48.46 86.4 Favored 'Isoleucine or valine' 0 C--N 1.355 0.831 0 O-C-N 120.217 -1.552 . . . . 1.0 112.678 171.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.54 -42.47 87.91 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 126.101 1.76 . . . . 1.0 113.57 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 70.0 t -62.69 -43.84 98.96 Favored 'Isoleucine or valine' 0 C--N 1.348 0.52 0 C-N-CA 125.062 1.345 . . . . 1.0 112.221 174.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -66.93 -37.14 83.78 Favored 'General case' 0 C--N 1.347 0.489 0 O-C-N 120.273 -1.517 . . . . 1.0 114.432 175.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . 0.331 13.8 mm -51.72 -49.02 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.916 1.686 . . . . 1.0 113.038 169.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . 0.301 0.0 OUTLIER -50.7 -51.73 46.86 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 124.409 2.052 . . . . 1.0 112.612 171.465 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -56.55 -48.56 77.05 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 126.269 1.827 . . . . 1.0 112.849 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 38.2 tp -59.84 -46.15 90.18 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 120.139 -1.601 . . . . 1.0 113.06 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -58.53 -45.63 88.46 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 120.209 -1.557 . . . . 1.0 113.964 170.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.8 tptp -60.89 -39.35 88.96 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.452 -1.405 . . . . 1.0 113.513 176.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.28 -38.9 91.13 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 115.142 1.534 . . . . 1.0 115.142 173.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.7 mt -95.22 -4.33 46.04 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.21 -1.556 . . . . 1.0 111.721 -174.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -59.59 -45.44 98.68 Favored Pre-proline 0 C--N 1.35 0.612 0 N-CA-C 115.968 1.84 . . . . 1.0 115.968 176.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -70.46 -21.08 30.73 Favored 'Trans proline' 0 CA--C 1.515 -0.434 0 CA-C-N 125.851 3.125 . . . . 1.0 111.285 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -84.76 -7.78 83.68 Favored Glycine 0 C--N 1.346 1.131 0 C-N-CA 123.481 0.562 . . . . 1.0 114.132 170.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.12 11.57 84.75 Favored Glycine 0 C--N 1.352 1.448 0 CA-C-N 119.136 1.468 . . . . 1.0 115.2 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.422 ' CE1' ' O ' ' A' ' 10' ' ' GLN . 98.3 m-70 -112.89 12.76 19.49 Favored 'General case' 0 C--N 1.344 0.342 0 O-C-N 120.903 -1.351 . . . . 1.0 112.787 -169.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -58.44 -32.02 68.3 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 126.015 1.726 . . . . 1.0 113.867 168.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -54.07 -31.36 51.44 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 127.761 2.424 . . . . 1.0 115.83 -177.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 75.0 mtp -61.56 -35.3 77.41 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 125.506 1.523 . . . . 1.0 114.836 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 32.0 t -75.99 97.99 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.494 0 C-N-CA 124.381 1.073 . . . . 1.0 110.471 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -97.16 158.97 15.18 Favored 'General case' 0 N--CA 1.444 -0.741 0 O-C-N 120.695 -1.253 . . . . 1.0 110.798 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 56.2 m -115.17 133.43 56.05 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 108.374 -0.973 . . . . 1.0 108.374 -177.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.9 t -111.49 104.01 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 N-CA-C 107.016 -1.476 . . . . 1.0 107.016 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -57.26 128.44 37.02 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 125.201 1.401 . . . . 1.0 113.12 -176.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.82 1.99 90.63 Favored Glycine 0 C--N 1.348 1.235 0 C-N-CA 125.171 1.367 . . . . 1.0 114.065 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 40.4 m -134.95 -61.86 0.74 Allowed 'General case' 0 CA--C 1.508 -0.66 0 O-C-N 121.432 -1.04 . . . . 1.0 110.705 -175.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 163.97 -128.36 1.81 Allowed Glycine 0 CA--C 1.496 -1.114 0 O-C-N 120.223 -1.548 . . . . 1.0 112.146 -170.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -141.78 155.58 45.6 Favored 'General case' 0 C--N 1.346 0.436 0 O-C-N 121.201 -1.176 . . . . 1.0 111.21 -167.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -139.21 134.67 33.03 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 125.073 1.349 . . . . 1.0 108.817 -172.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -110.08 121.57 45.56 Favored 'General case' 0 CA--C 1.509 -0.625 0 O-C-N 120.215 -1.553 . . . . 1.0 108.507 -177.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.9 t -119.15 140.35 50.3 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 123.145 1.45 . . . . 1.0 114.242 -163.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.92 6.34 49.33 Favored 'General case' 0 C--N 1.347 0.491 0 C-N-CA 126.082 1.753 . . . . 1.0 111.861 177.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -81.57 -14.99 56.14 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 120.117 -1.615 . . . . 1.0 113.479 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 . . . . . 0 C--O 1.257 1.479 0 C-N-CA 123.83 0.852 . . . . 1.0 111.439 -170.166 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.432 0 O5'-C5'-C4' 114.305 2.932 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.552 0 O4'-C1'-C2' 102.781 -3.017 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.963 0 OP1-P-OP2 116.324 -2.184 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.562 -3.731 0 P-O5'-C5' 114.715 -3.865 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.387 0 P-O5'-C5' 116.2 -2.937 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.568 -3.256 1 P-O3'-C3' 125.366 4.722 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.552 -4.575 1 P-O3'-C3' 124.736 4.197 . . . . 1.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.613 0 OP1-P-OP2 115.576 -2.683 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.815 0 OP1-P-OP2 115.503 -2.731 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.396 0 C4'-C3'-O3' 115.883 2.538 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.562 -3.718 1 P-O3'-C3' 131.39 9.742 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.284 0 OP1-P-OP2 115.132 -2.979 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.74 0 OP1-P-OP2 116.335 -2.177 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.315 0 OP1-P-OP2 115.651 -2.632 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.77 0 OP1-P-OP2 115.887 -2.475 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.231 0 C4'-C3'-O3' 115.298 2.272 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.368 0 O5'-C5'-C4' 114.172 2.837 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.573 -2.829 0 O5'-C5'-C4' 112.891 1.922 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.499 0 OP1-P-OP2 116.144 -2.304 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.714 0 OP1-P-OP2 115.932 -2.446 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.761 0 O5'-C5'-C4' 112.571 1.694 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.7 0 OP1-P-OP2 116.082 -2.345 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.158 0 OP1-P-OP2 116.033 -2.378 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.566 -3.45 0 P-O5'-C5' 116.005 -3.06 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.151 0 P-O3'-C3' 123.615 3.262 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.572 -2.904 0 O4'-C1'-C2' 102.107 -3.63 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.564 -3.608 0 P-O3'-C3' 124.174 3.729 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.493 0 P-O3'-C3' 122.736 2.53 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.992 0 OP1-P-OP2 116.507 -2.062 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.93 0 OP1-P-OP2 115.864 -2.491 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.013 0 O5'-C5'-C4' 113.877 2.626 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.982 0 OP1-P-OP2 115.658 -2.628 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 113.314 0.857 . . . . 1.0 113.314 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 46.17 -145.52 0.2 Allowed 'General case' 0 C--N 1.351 0.647 0 N-CA-C 117.291 2.33 . . . . 1.0 117.291 -178.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.9 p -66.9 -41.45 87.61 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 N-CA-C 116.667 2.099 . . . . 1.0 116.667 -169.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -77.98 -45.44 23.84 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 119.82 -1.8 . . . . 1.0 113.126 -178.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.282 6.0 tp10 69.95 145.16 0.06 Allowed 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 126.793 2.037 . . . . 1.0 115.243 176.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.7 t -58.78 139.62 18.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 C-N-CA 125.627 1.571 . . . . 1.0 111.766 175.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.3 mt -113.99 127.37 71.42 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.48 0 N-CA-C 106.475 -1.676 . . . . 1.0 106.475 174.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -132.36 122.71 25.47 Favored 'General case' 0 C--N 1.346 0.448 0 O-C-N 120.984 -1.072 . . . . 1.0 109.91 177.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -151.78 140.81 21.16 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 121.174 -0.954 . . . . 1.0 109.824 179.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 61.23 21.59 12.03 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 125.769 1.627 . . . . 1.0 115.008 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.44 0.36 88.99 Favored Glycine 0 C--N 1.352 1.428 0 O-C-N 120.58 -1.325 . . . . 1.0 115.071 -171.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.9 tp -99.68 128.08 45.79 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.301 1.44 . . . . 1.0 108.141 177.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.8 p -125.44 144.76 50.38 Favored 'General case' 0 CA--C 1.512 -0.507 0 O-C-N 120.794 -1.191 . . . . 1.0 111.802 -177.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.8 tt -139.21 128.43 24.01 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 124.217 1.007 . . . . 1.0 109.409 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -110.6 113.83 55.39 Favored Pre-proline 0 C--N 1.348 0.509 0 N-CA-C 107.419 -1.326 . . . . 1.0 107.419 176.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -71.09 -21.41 27.45 Favored 'Trans proline' 0 CA--C 1.51 -0.701 0 C-N-CA 122.651 2.234 . . . . 1.0 112.9 -176.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.7 m -85.18 -44.4 12.97 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-N 118.9 0.773 . . . . 1.0 110.291 -175.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.9 m -77.89 -15.33 59.11 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 120.793 -1.192 . . . . 1.0 112.793 174.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.9 m170 67.78 37.08 3.3 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 125.223 1.409 . . . . 1.0 111.52 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -118.78 133.82 55.58 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.389 1.076 . . . . 1.0 109.84 -164.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.1 t -121.18 132.77 69.76 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 N-CA-C 107.902 -1.148 . . . . 1.0 107.902 175.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 72.1 mtp -132.77 153.79 50.88 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 121.109 -0.995 . . . . 1.0 111.016 176.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -128.01 124.64 37.67 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 107.263 -1.384 . . . . 1.0 107.263 170.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.96 -113.86 4.79 Favored Glycine 0 C--N 1.352 1.47 0 O-C-N 121.416 -0.803 . . . . 1.0 112.897 -169.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -103.73 3.07 33.76 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.879 1.271 . . . . 1.0 113.716 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -123.81 139.65 32.79 Favored Pre-proline 0 C--N 1.357 0.911 0 O-C-N 120.507 -1.371 . . . . 1.0 113.39 -171.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -70.89 162.92 40.99 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 123.437 2.758 . . . . 1.0 113.816 173.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.6 mt -124.48 163.06 22.62 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-O 122.44 1.114 . . . . 1.0 111.19 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -117.36 121.83 42.19 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 120.744 -1.223 . . . . 1.0 112.028 -170.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.7 ptp -160.26 163.51 33.4 Favored 'General case' 0 N--CA 1.445 -0.697 0 O-C-N 121.544 -0.723 . . . . 1.0 109.44 176.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -85.66 177.49 49.9 Favored Glycine 0 C--N 1.352 1.452 0 O-C-N 121.304 -0.873 . . . . 1.0 112.929 177.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -72.21 -31.59 11.68 Favored 'Trans proline' 0 C--N 1.326 -0.623 0 C-N-CA 122.564 2.176 . . . . 1.0 112.689 -173.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.3 m -64.85 -43.26 93.58 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.745 1.157 . . . . 1.0 112.115 172.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -63.03 -41.49 99.54 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 120.568 -1.333 . . . . 1.0 112.709 172.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -60.38 -44.56 95.51 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 121.081 -1.012 . . . . 1.0 112.625 175.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -62.46 -42.89 99.79 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.844 -1.16 . . . . 1.0 112.839 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.2 tp -63.62 -45.16 91.54 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 124.868 1.267 . . . . 1.0 113.543 172.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.2 tp -63.85 -40.76 97.33 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 120.383 -1.448 . . . . 1.0 113.21 176.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.4 t-160 -61.01 -41.29 96.27 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.505 -1.372 . . . . 1.0 112.87 173.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -61.41 -46.0 91.97 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 120.956 -1.09 . . . . 1.0 111.987 170.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -61.8 -43.5 98.73 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 120.326 -1.484 . . . . 1.0 114.901 175.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 96.9 mtp -75.34 -16.44 60.4 Favored 'General case' 0 C--N 1.346 0.416 0 O-C-N 119.598 -1.938 . . . . 1.0 113.405 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.5 p -95.58 -1.86 49.56 Favored 'General case' 0 C--N 1.347 0.473 0 O-C-N 120.732 -1.23 . . . . 1.0 110.918 169.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -141.47 61.01 12.75 Favored Pre-proline 0 C--N 1.349 0.555 0 O-C-N 120.556 -1.34 . . . . 1.0 113.637 175.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -77.41 149.32 27.41 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 122.676 2.251 . . . . 1.0 111.617 177.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . 0.298 20.7 mm-40 81.53 32.21 0.12 Allowed 'General case' 0 C--N 1.344 0.365 0 C-N-CA 126.598 1.959 . . . . 1.0 114.752 168.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -142.27 141.39 32.44 Favored 'General case' 0 C--N 1.346 0.452 0 O-C-N 121.201 -0.937 . . . . 1.0 110.187 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.6 t -84.34 132.41 31.64 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 CA-C-O 122.352 1.072 . . . . 1.0 110.988 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -124.95 130.15 51.78 Favored 'General case' 0 CA--C 1.51 -0.569 0 C-N-CA 124.924 1.29 . . . . 1.0 108.425 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 84.7 p -66.57 160.52 25.09 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 123.58 0.752 . . . . 1.0 110.739 168.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -59.77 -36.82 77.47 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 120.128 -1.608 . . . . 1.0 112.098 175.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 -60.08 -42.1 93.89 Favored 'General case' 0 C--N 1.347 0.462 0 N-CA-C 114.504 1.298 . . . . 1.0 114.504 170.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -64.45 -41.29 96.61 Favored 'General case' 0 C--N 1.362 1.111 0 O-C-N 119.626 -1.921 . . . . 1.0 111.727 174.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.88 -41.01 97.36 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.698 -1.251 . . . . 1.0 113.573 172.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.4 mt -60.3 -47.08 87.56 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.321 -1.487 . . . . 1.0 113.12 171.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -62.91 -45.51 92.16 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 121.152 -0.968 . . . . 1.0 113.442 177.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -70.62 -34.9 72.62 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 115.927 1.825 . . . . 1.0 115.927 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.7 t -109.25 -72.49 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.457 0 O-C-N 121.065 -1.022 . . . . 1.0 110.943 -171.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 8.3 m-90 -61.06 -37.35 82.35 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 125.685 1.594 . . . . 1.0 114.864 -173.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 141.18 148.37 5.07 Favored Glycine 0 C--N 1.345 1.052 0 CA-C-O 122.418 1.01 . . . . 1.0 112.546 177.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.0 p -72.39 -17.15 61.84 Favored 'General case' 0 CA--C 1.516 -0.34 0 O-C-N 120.401 -1.646 . . . . 1.0 113.92 -178.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -115.94 11.28 15.41 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.731 -1.231 . . . . 1.0 110.879 177.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.3 p -61.32 146.15 12.1 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 O-C-N 120.285 -1.509 . . . . 1.0 114.028 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -114.0 5.81 16.25 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 122.376 1.084 . . . . 1.0 112.391 -161.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 31.0 m -76.03 160.6 4.97 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 CA-C-O 123.121 1.439 . . . . 1.0 113.344 -176.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -76.13 150.17 37.24 Favored 'General case' 0 N--CA 1.434 -1.242 0 O-C-N 120.866 -1.146 . . . . 1.0 110.159 172.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.66 -29.96 66.98 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.198 1.799 . . . . 1.0 110.92 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -72.86 -7.52 51.23 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 114.957 1.465 . . . . 1.0 114.957 177.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 50.8 m -70.03 -26.17 63.91 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 119.449 -2.032 . . . . 1.0 111.824 165.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.6 t -63.26 -45.74 97.55 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 O-C-N 120.254 -1.529 . . . . 1.0 111.897 169.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -56.33 -44.17 79.74 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 124.871 1.268 . . . . 1.0 113.064 -179.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 88.1 t -64.35 -44.69 97.24 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 C-N-CA 125.236 1.414 . . . . 1.0 112.983 176.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -72.47 -30.89 64.96 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 119.672 -1.893 . . . . 1.0 113.269 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 11.1 mm -61.34 -42.98 95.72 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 O-C-N 120.482 -1.386 . . . . 1.0 111.707 168.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.59 -45.63 93.3 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 121.025 -1.047 . . . . 1.0 112.256 175.181 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 45.5 mtt-85 -59.56 -42.41 92.36 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 114.869 1.433 . . . . 1.0 114.869 170.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 45.6 tp -62.33 -42.9 99.76 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.841 -1.162 . . . . 1.0 113.216 175.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -60.26 -44.49 95.25 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 119.904 -1.747 . . . . 1.0 113.883 170.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -61.56 -35.35 77.52 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-O 122.567 1.175 . . . . 1.0 113.302 175.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.32 -39.7 93.92 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 114.837 1.421 . . . . 1.0 114.837 171.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.5 mt -96.94 -7.37 33.37 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.639 -1.288 . . . . 1.0 111.624 -173.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.14 -46.17 97.87 Favored Pre-proline 0 C--N 1.349 0.565 0 N-CA-C 116.436 2.013 . . . . 1.0 116.436 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -76.98 -14.72 16.88 Favored 'Trans proline' 0 CA--C 1.518 -0.324 0 CA-C-N 125.747 3.088 . . . . 1.0 110.509 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -85.54 -2.9 86.88 Favored Glycine 0 C--N 1.348 1.208 0 C-N-CA 125.244 1.402 . . . . 1.0 113.788 169.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.6 8.99 87.42 Favored Glycine 0 C--N 1.35 1.342 0 CA-C-N 118.669 1.235 . . . . 1.0 115.737 177.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -118.9 18.61 13.23 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 120.681 -1.482 . . . . 1.0 114.889 -167.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 48.2 p-10 -54.37 -33.2 58.65 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.964 1.306 . . . . 1.0 113.792 162.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -55.32 -35.54 65.26 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 127.838 2.455 . . . . 1.0 114.495 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 60.7 mtp -60.57 -37.53 81.58 Favored 'General case' 0 C--N 1.346 0.446 0 N-CA-C 113.975 1.102 . . . . 1.0 113.975 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 38.3 t -81.46 98.08 3.94 Favored 'Isoleucine or valine' 0 C--N 1.346 0.429 0 C-N-CA 124.243 1.017 . . . . 1.0 109.984 176.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -96.06 155.97 16.53 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.309 1.444 . . . . 1.0 111.417 -175.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.1 m -110.36 138.73 46.35 Favored 'General case' 0 CA--C 1.502 -0.897 0 C-N-CA 124.371 1.068 . . . . 1.0 108.665 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 46.9 t -119.99 103.78 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 108.287 -1.005 . . . . 1.0 108.287 173.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 71.6 ttt-85 -53.01 124.28 13.85 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 125.616 1.566 . . . . 1.0 114.342 -178.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.33 3.15 90.65 Favored Glycine 0 C--N 1.351 1.375 0 C-N-CA 125.414 1.483 . . . . 1.0 114.516 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 69.3 m -135.09 -59.65 0.78 Allowed 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 121.522 -0.987 . . . . 1.0 110.904 -172.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 165.51 -133.9 3.12 Favored Glycine 0 C--N 1.35 1.331 0 O-C-N 119.87 -1.769 . . . . 1.0 113.624 -173.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -141.01 165.75 26.7 Favored 'General case' 0 C--N 1.345 0.374 0 O-C-N 121.756 -0.849 . . . . 1.0 110.348 -172.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -146.29 149.76 34.47 Favored 'General case' 0 C--N 1.347 0.483 0 O-C-N 120.937 -1.102 . . . . 1.0 108.397 -178.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -109.97 139.29 45.23 Favored 'General case' 0 C--N 1.349 0.575 0 N-CA-C 107.602 -1.258 . . . . 1.0 107.602 171.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.8 t -144.6 147.93 33.73 Favored 'General case' 0 CA--C 1.506 -0.747 0 O-C-N 120.409 -1.432 . . . . 1.0 112.864 -171.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 38.6 p -109.67 15.44 22.82 Favored 'General case' 0 CA--C 1.511 -0.554 0 C-N-CA 126.512 1.925 . . . . 1.0 111.028 -177.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 45.8 tpt85 -64.49 -42.38 95.91 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 120.847 -1.158 . . . . 1.0 113.637 171.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 . . . . . 0 C--O 1.26 1.626 0 C-N-CA 124.934 1.294 . . . . 1.0 109.236 179.352 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.556 0 O5'-C5'-C4' 114.03 2.736 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.373 0 OP1-P-OP2 116.687 -1.942 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.834 0 OP1-P-OP2 116.834 -1.844 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.911 0 O5'-C5'-C4' 113.654 2.467 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.904 0 P-O5'-C5' 115.891 -3.131 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.322 0 OP1-P-OP2 115.684 -2.61 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.87 0 P-O3'-C3' 122.92 2.683 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.568 -2.504 0 OP1-P-OP2 116.195 -2.27 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.561 -3.851 1 P-O3'-C3' 126.639 5.783 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.564 -3.572 0 P-O3'-C3' 122.513 2.344 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.821 0 P-O3'-C3' 123.37 3.058 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.299 0 O4'-C1'-C2' 102.562 -3.216 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.912 0 P-O3'-C3' 123.171 2.893 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.258 0 OP1-P-OP2 116.196 -2.27 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.917 0 OP1-P-OP2 116.06 -2.36 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.431 0 C4'-C3'-O3' 116.356 2.753 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.633 0 O5'-C5'-C4' 115.3 3.643 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.518 0 OP1-P-OP2 115.718 -2.588 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.528 0 P-O5'-C5' 117.537 -2.102 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.036 0 OP1-P-OP2 116.083 -2.345 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.156 0 OP1-P-OP2 115.951 -2.432 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.416 0 OP1-P-OP2 116.891 -1.806 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.102 0 OP1-P-OP2 116.057 -2.362 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.48 0 P-O5'-C5' 114.617 -3.927 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.566 -3.434 0 P-O3'-C3' 124.452 3.96 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.426 0 O4'-C1'-C2' 102.362 -3.399 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.592 0 P-O3'-C3' 123.772 3.393 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.143 0 OP1-P-OP2 116.065 -2.357 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.583 0 O4'-C1'-N19 109.939 2.674 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.047 0 O5'-C5'-C4' 113.421 2.301 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.57 -3.114 0 OP1-P-OP2 116.275 -2.217 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.069 0 C4'-C3'-O3' 115.326 2.285 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.4 tpt . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 114.912 1.449 . . . . 1.0 114.912 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.56 14.32 9.48 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 120.845 -1.159 . . . . 1.0 113.375 -174.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.3 m -121.05 -4.64 9.31 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 O-C-N 120.684 -1.26 . . . . 1.0 112.918 -175.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 56.4 mp0 -61.04 145.66 49.99 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 115.516 1.672 . . . . 1.0 115.516 -176.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -95.28 -15.13 23.39 Favored 'General case' 0 C--N 1.347 0.49 0 C-N-CA 125.256 1.422 . . . . 1.0 112.556 -169.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.7 m -152.84 155.41 6.58 Favored 'Isoleucine or valine' 0 C--N 1.344 0.356 0 N-CA-C 104.822 -2.288 . . . . 1.0 104.822 173.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.2 mt -128.53 120.0 51.62 Favored 'Isoleucine or valine' 0 C--N 1.345 0.406 0 N-CA-C 106.776 -1.565 . . . . 1.0 106.776 162.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -109.42 110.4 21.52 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 107.703 -1.221 . . . . 1.0 107.703 169.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 55.8 ttp -143.77 119.12 10.24 Favored 'General case' 0 N--CA 1.449 -0.478 0 O-C-N 120.465 -1.397 . . . . 1.0 111.068 -173.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 54.96 45.6 26.09 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 116.464 2.024 . . . . 1.0 116.464 174.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.9 6.07 88.74 Favored Glycine 0 C--N 1.346 1.096 0 O-C-N 120.81 -1.181 . . . . 1.0 113.437 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.9 tp -122.83 126.68 47.86 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 124.177 0.991 . . . . 1.0 109.158 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.3 p -122.39 126.48 48.07 Favored 'General case' 0 CA--C 1.51 -0.569 0 O-C-N 120.421 -1.424 . . . . 1.0 111.739 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.9 tt -124.91 137.37 54.28 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 125.213 1.405 . . . . 1.0 109.5 -174.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -120.64 117.13 31.48 Favored Pre-proline 0 N--CA 1.449 -0.512 0 N-CA-C 107.759 -1.2 . . . . 1.0 107.759 176.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_exo -64.66 -32.59 57.41 Favored 'Trans proline' 0 CA--C 1.513 -0.538 0 C-N-CA 122.855 2.37 . . . . 1.0 113.901 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.5 m -70.41 -47.92 58.54 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 118.79 0.723 . . . . 1.0 111.561 -174.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.7 p -87.98 -15.03 37.59 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 120.312 -1.492 . . . . 1.0 112.509 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.2 m170 66.09 28.86 10.19 Favored 'General case' 0 C--N 1.35 0.616 0 C-N-CA 126.674 1.99 . . . . 1.0 113.009 -172.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -97.9 132.41 43.51 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 121.117 -0.989 . . . . 1.0 111.068 -173.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 50.5 t -119.49 126.25 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 C-N-CA 124.875 1.27 . . . . 1.0 107.611 177.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.4 mtp -126.6 146.71 50.05 Favored 'General case' 0 N--CA 1.448 -0.526 0 O-C-N 120.8 -1.188 . . . . 1.0 109.905 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.17 108.33 16.82 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.454 -0.943 . . . . 1.0 108.454 171.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.89 -105.54 0.87 Allowed Glycine 0 C--N 1.349 1.288 0 O-C-N 121.186 -0.946 . . . . 1.0 112.47 -165.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -110.44 4.42 20.55 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.993 1.317 . . . . 1.0 111.576 177.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -98.62 117.14 64.99 Favored Pre-proline 0 C--N 1.35 0.611 0 O-C-N 119.889 -1.757 . . . . 1.0 111.684 -175.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -76.83 139.79 20.03 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 CA-C-N 123.864 2.416 . . . . 1.0 112.004 175.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.4 mt -112.74 166.71 11.11 Favored 'General case' 0 C--N 1.346 0.448 0 C-N-CA 124.98 1.312 . . . . 1.0 110.86 -174.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -128.23 138.35 52.41 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 114.275 1.213 . . . . 1.0 114.275 -175.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 21.6 ptp -162.19 163.22 28.45 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 120.929 -1.107 . . . . 1.0 110.737 177.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.63 175.81 53.42 Favored Glycine 0 C--N 1.35 1.307 0 O-C-N 121.025 -1.047 . . . . 1.0 112.654 171.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -73.69 -33.16 6.84 Favored 'Trans proline' 0 C--N 1.325 -0.686 0 C-N-CA 122.29 1.993 . . . . 1.0 112.555 -168.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.3 m -67.2 -36.55 81.97 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 120.353 1.433 . . . . 1.0 111.692 176.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.03 -41.89 97.27 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.275 -1.516 . . . . 1.0 111.994 170.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -61.18 -44.95 96.49 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 121.12 -0.988 . . . . 1.0 112.707 174.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -60.15 -42.84 95.73 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.803 -1.186 . . . . 1.0 113.178 174.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.7 tp -65.12 -45.73 83.88 Favored 'General case' 0 C--N 1.35 0.615 0 N-CA-C 113.567 0.951 . . . . 1.0 113.567 175.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.9 tp -63.64 -42.73 98.1 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.815 -1.178 . . . . 1.0 112.726 176.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -61.04 -41.56 96.82 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.801 -1.187 . . . . 1.0 113.083 175.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -63.16 -46.24 88.1 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 121.303 -0.873 . . . . 1.0 112.692 172.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -63.24 -41.25 99.07 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 120.188 -1.57 . . . . 1.0 114.831 175.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 85.1 mtp -63.95 -33.05 74.84 Favored 'General case' 0 C--N 1.346 0.446 0 O-C-N 120.205 -1.559 . . . . 1.0 114.55 175.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.8 p -79.53 -13.43 59.55 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 120.338 -1.476 . . . . 1.0 112.934 172.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -129.96 65.21 74.73 Favored Pre-proline 0 C--N 1.352 0.678 0 O-C-N 120.564 -1.335 . . . . 1.0 114.016 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -76.09 149.83 32.89 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.964 2.443 . . . . 1.0 112.218 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 63.57 42.12 6.74 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 127.273 2.229 . . . . 1.0 115.213 173.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -146.64 137.31 23.95 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 120.815 -1.178 . . . . 1.0 108.152 174.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.9 t -89.52 127.09 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-O 122.587 1.184 . . . . 1.0 110.854 -176.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -115.49 128.74 56.22 Favored 'General case' 0 CA--C 1.502 -0.882 0 C-N-CA 125.379 1.471 . . . . 1.0 107.221 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 42.4 p -64.86 161.5 18.16 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 123.876 0.87 . . . . 1.0 111.575 171.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -60.43 -37.08 79.77 Favored 'General case' 0 C--N 1.346 0.439 0 O-C-N 120.277 -1.515 . . . . 1.0 111.915 174.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -60.0 -43.44 95.19 Favored 'General case' 0 C--N 1.348 0.523 0 N-CA-C 114.33 1.233 . . . . 1.0 114.33 170.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -64.38 -41.62 96.59 Favored 'General case' 0 C--N 1.362 1.122 0 O-C-N 119.594 -1.941 . . . . 1.0 112.007 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.39 -42.17 98.29 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.794 -1.191 . . . . 1.0 112.743 173.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 72.3 mt -59.75 -40.26 87.52 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.514 -1.366 . . . . 1.0 113.832 171.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -63.37 -48.48 77.74 Favored 'General case' 0 C--N 1.348 0.536 0 O-C-N 120.376 -1.452 . . . . 1.0 113.029 173.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -78.26 -39.99 38.46 Favored 'General case' 0 C--N 1.345 0.375 0 N-CA-C 115.86 1.8 . . . . 1.0 115.86 -175.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 73.5 t -106.33 -29.51 2.7 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 O-C-N 120.377 -1.452 . . . . 1.0 112.051 -167.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 9.8 m-90 -100.62 -13.98 18.34 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 120.378 -1.451 . . . . 1.0 110.252 177.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.37 22.68 28.72 Favored Glycine 0 C--N 1.346 1.108 0 O-C-N 120.53 -1.356 . . . . 1.0 114.686 166.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.5 m 79.52 -47.76 0.37 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.479 1.512 . . . . 1.0 113.321 168.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -91.04 34.65 0.92 Allowed 'General case' 0 C--N 1.345 0.385 0 C-N-CA 125.891 1.676 . . . . 1.0 111.685 -174.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 77.6 t -125.65 133.73 68.42 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.846 0 N-CA-C 105.338 -2.097 . . . . 1.0 105.338 174.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -118.41 6.09 11.8 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 122.679 1.228 . . . . 1.0 113.837 -148.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.2 m -41.18 157.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 130.419 3.488 . . . . 1.0 116.506 172.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -58.56 162.93 3.48 Favored 'General case' 0 C--N 1.347 0.46 0 O-C-N 120.737 -1.227 . . . . 1.0 113.617 164.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -57.96 -32.6 68.01 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.633 -1.292 . . . . 1.0 113.255 173.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -91.96 0.44 57.47 Favored 'General case' 0 N--CA 1.447 -0.624 0 O-C-N 120.221 -1.549 . . . . 1.0 114.573 -160.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.2 t -73.21 -21.19 60.71 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 119.967 -1.708 . . . . 1.0 110.979 164.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.6 t -63.14 -47.5 92.13 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 O-C-N 120.077 -1.64 . . . . 1.0 111.706 168.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.78 -44.39 90.69 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 126.103 1.761 . . . . 1.0 112.828 176.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 69.5 t -63.76 -43.12 97.87 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 C-N-CA 124.546 1.139 . . . . 1.0 112.84 173.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -66.09 -36.04 82.12 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 119.738 -1.851 . . . . 1.0 113.53 174.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.5 mm -60.28 -41.45 87.08 Favored 'Isoleucine or valine' 0 C--N 1.348 0.515 0 O-C-N 120.27 -1.519 . . . . 1.0 112.723 170.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -60.45 -45.03 95.17 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 120.511 -1.368 . . . . 1.0 112.609 171.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -62.07 -39.35 92.11 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.684 -1.26 . . . . 1.0 113.798 174.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.5 tp -64.16 -45.13 89.8 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 124.713 1.205 . . . . 1.0 113.974 173.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -59.86 -43.19 94.8 Favored 'General case' 0 C--N 1.355 0.804 0 O-C-N 119.813 -1.804 . . . . 1.0 113.721 171.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -59.79 -41.66 91.64 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 121.031 -1.043 . . . . 1.0 113.004 173.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.4 93.61 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 115.144 1.535 . . . . 1.0 115.144 174.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.9 mt -97.99 0.63 46.71 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 121.045 -1.034 . . . . 1.0 112.251 -173.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -61.31 -45.87 95.09 Favored Pre-proline 0 CA--C 1.538 0.5 0 CA-C-O 117.055 -1.45 . . . . 1.0 114.891 172.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -56.94 124.15 15.57 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 CA-C-N 125.369 2.953 . . . . 1.0 112.57 159.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.36 -0.27 89.16 Favored Glycine 0 C--N 1.342 0.916 0 C-N-CA 125.899 1.714 . . . . 1.0 115.334 -172.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 69.3 39.37 81.75 Favored Glycine 0 C--N 1.349 1.303 0 N-CA-C 117.622 1.809 . . . . 1.0 117.622 167.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -109.74 4.45 21.86 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 119.44 1.62 . . . . 1.0 113.011 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -54.7 -33.18 60.59 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.447 -1.408 . . . . 1.0 114.117 167.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -58.64 -27.42 64.73 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 116.764 2.135 . . . . 1.0 116.764 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 59.1 mtp -66.85 -35.84 80.96 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 125.026 1.33 . . . . 1.0 113.88 176.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.8 t -78.36 100.1 3.22 Favored 'Isoleucine or valine' 0 C--N 1.349 0.563 0 C-N-CA 126.234 1.814 . . . . 1.0 110.975 -176.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -121.69 153.08 38.65 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 120.349 -1.469 . . . . 1.0 112.417 -166.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 66.6 m -113.94 134.87 54.55 Favored 'General case' 0 CA--C 1.505 -0.76 0 C-N-CA 124.173 0.989 . . . . 1.0 111.256 -168.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.4 t -114.18 106.92 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 C-N-CA 124.819 1.248 . . . . 1.0 107.992 177.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.6 ttt85 -60.31 129.05 39.75 Favored 'General case' 0 C--N 1.346 0.451 0 C-N-CA 125.431 1.493 . . . . 1.0 113.34 -176.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.13 2.77 90.63 Favored Glycine 0 C--N 1.348 1.236 0 O-C-N 121.091 -1.006 . . . . 1.0 114.072 -178.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 85.7 m -133.49 -63.77 0.74 Allowed 'General case' 0 C--N 1.349 0.559 0 O-C-N 121.152 -1.205 . . . . 1.0 110.334 -176.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 161.85 -130.13 2.24 Favored Glycine 0 C--N 1.347 1.176 0 O-C-N 120.434 -1.416 . . . . 1.0 111.946 -170.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -141.03 160.87 39.15 Favored 'General case' 0 C--N 1.346 0.452 0 O-C-N 121.239 -1.153 . . . . 1.0 112.102 -166.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -144.11 153.0 41.69 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 125.978 1.711 . . . . 1.0 108.466 -173.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -121.7 132.01 54.4 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.393 -1.442 . . . . 1.0 108.186 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.3 t -125.57 141.95 51.76 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.356 -1.465 . . . . 1.0 114.352 -171.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.7 p -101.5 14.25 32.53 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 126.833 2.053 . . . . 1.0 112.095 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 52.3 mtm180 -103.9 -6.29 21.47 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.411 -1.431 . . . . 1.0 112.674 177.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 . . . . . 0 C--O 1.261 1.665 0 O-C-N 120.707 -1.245 . . . . 1.0 109.058 -170.693 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.184 0 O5'-C5'-C4' 113.652 2.466 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.927 0 P-O3'-C3' 123.413 3.094 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.605 0 O5'-C5'-C4' 113.13 2.093 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.57 -3.044 0 P-O5'-C5' 116.364 -2.835 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.221 0 OP1-P-OP2 116.668 -1.955 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.517 0 P-O3'-C3' 123.55 3.208 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.779 0 P-O3'-C3' 122.994 2.745 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.958 0 P-O5'-C5' 116.014 -3.054 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.558 -4.102 0 P-O3'-C3' 123.807 3.423 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.565 -3.5 0 P-O3'-C3' 124.239 3.782 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.568 -3.272 1 P-O3'-C3' 130.569 9.058 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ' DT' . . . . . 1.388 ' C2 ' ' O2 ' ' B' ' 12' ' ' ' DT' . . . . . . . . 1 P--O3' 1.557 -4.176 1 P-O3'-C3' 128.216 7.097 . . . . 1.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.564 -3.574 0 OP1-P-OP2 116.503 -2.064 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.82 0 O4'-C1'-C2' 101.732 -3.971 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.356 1 P-O3'-C3' 124.791 4.243 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.501 0 OP1-P-OP2 116.046 -2.369 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.392 0 O5'-C5'-C4' 114.797 3.284 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.736 0 P-O3'-C3' 123.488 3.157 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.833 0 P-O3'-C3' 121.906 1.838 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.512 0 OP1-P-OP2 115.82 -2.52 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.715 0 OP1-P-OP2 115.846 -2.502 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.894 0 P-O5'-C5' 115.57 -3.331 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.559 -4.039 0 P-O3'-C3' 123.622 3.268 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.563 -3.65 0 P-O5'-C5' 115.991 -3.068 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.567 -3.311 1 P-O3'-C3' 124.987 4.406 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.564 -3.617 1 O4'-C1'-C2' 101.46 -4.218 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.56 -3.901 1 P-O3'-C3' 125.659 4.966 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.278 0 OP1-P-OP2 116.234 -2.244 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.57 -3.047 0 O4'-C1'-C2' 103.171 -2.663 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.771 0 OP1-P-OP2 115.744 -2.571 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.544 0 OP1-P-OP2 116.211 -2.259 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.132 0 OP1-P-OP2 115.98 -2.413 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 mmt . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 114.246 1.202 . . . . 1.0 114.246 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.03 140.94 58.9 Favored 'General case' 0 C--N 1.35 0.599 0 N-CA-C 115.231 1.567 . . . . 1.0 115.231 173.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.3 m -62.85 152.39 7.41 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 C-N-CA 124.819 1.248 . . . . 1.0 114.26 172.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -62.7 -42.98 99.92 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 119.574 -1.954 . . . . 1.0 115.053 -178.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -73.33 -24.06 60.32 Favored 'General case' 0 C--N 1.349 0.563 0 N-CA-C 116.945 2.202 . . . . 1.0 116.945 -168.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 p -65.41 137.57 24.72 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 O-C-N 120.654 -1.279 . . . . 1.0 113.465 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.1 mt -104.46 123.61 58.47 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.39 0 N-CA-C 107.004 -1.48 . . . . 1.0 107.004 -178.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -123.13 124.08 42.26 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 121.325 -0.859 . . . . 1.0 111.335 -171.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 36.2 mtt -140.59 117.69 11.23 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.235 1.014 . . . . 1.0 110.918 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 53.19 44.08 30.72 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 115.162 1.542 . . . . 1.0 115.162 169.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.96 -1.21 85.37 Favored Glycine 0 C--N 1.35 1.343 0 O-C-N 120.443 -1.41 . . . . 1.0 116.029 -175.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.0 tp -105.66 127.59 53.15 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 120.711 -1.464 . . . . 1.0 108.272 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.0 p -127.49 129.56 47.64 Favored 'General case' 0 C--N 1.344 0.355 0 O-C-N 120.749 -1.219 . . . . 1.0 111.621 -177.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 tt -122.51 129.17 51.69 Favored 'General case' 0 CA--C 1.511 -0.53 0 C-N-CA 124.949 1.3 . . . . 1.0 109.27 -176.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -109.44 113.15 58.6 Favored Pre-proline 0 N--CA 1.448 -0.569 0 N-CA-C 107.515 -1.291 . . . . 1.0 107.515 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -66.21 -30.06 46.52 Favored 'Trans proline' 0 CA--C 1.508 -0.784 0 C-N-CA 122.658 2.239 . . . . 1.0 113.065 -175.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 83.0 m -84.19 -39.51 19.27 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-O 122.127 0.965 . . . . 1.0 109.511 -174.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.6 t -79.13 -16.94 55.95 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.371 -1.455 . . . . 1.0 113.38 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.0 m170 68.0 27.52 7.06 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 125.826 1.65 . . . . 1.0 112.913 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -125.25 135.65 52.75 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 123.388 0.675 . . . . 1.0 111.434 -163.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.3 t -116.92 128.91 74.21 Favored 'Isoleucine or valine' 0 C--N 1.346 0.441 0 C-N-CA 124.374 1.07 . . . . 1.0 108.867 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 80.3 mtp -122.56 142.4 50.66 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.871 -1.143 . . . . 1.0 109.856 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.09 124.85 40.18 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 121.153 -0.967 . . . . 1.0 109.042 176.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.25 -106.28 1.38 Allowed Glycine 0 C--N 1.35 1.332 0 O-C-N 120.64 -1.288 . . . . 1.0 112.048 -172.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -114.73 4.27 14.95 Favored 'General case' 0 C--N 1.343 0.292 0 O-C-N 121.336 -1.097 . . . . 1.0 112.706 170.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -109.19 130.7 22.44 Favored Pre-proline 0 C--N 1.35 0.592 0 O-C-N 120.305 -1.497 . . . . 1.0 112.531 -167.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.79 139.34 19.72 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 122.503 2.135 . . . . 1.0 112.641 170.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.9 mt -101.22 167.4 10.23 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 125.143 1.377 . . . . 1.0 111.262 -177.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -123.28 129.39 51.29 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 120.612 -1.305 . . . . 1.0 111.844 -177.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.2 ptp -154.5 168.31 27.15 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 120.948 -1.095 . . . . 1.0 111.504 174.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.83 174.56 51.48 Favored Glycine 0 C--N 1.35 1.346 0 O-C-N 120.783 -1.198 . . . . 1.0 113.45 172.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -80.2 -32.31 1.41 Allowed 'Trans proline' 0 C--N 1.326 -0.644 0 C-N-CA 121.889 1.726 . . . . 1.0 112.378 -167.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.7 m -66.0 -37.26 85.48 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 122.68 1.229 . . . . 1.0 110.944 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -62.51 -42.97 99.87 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 124.936 1.294 . . . . 1.0 112.045 175.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -60.78 -42.57 97.8 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 124.601 1.16 . . . . 1.0 113.212 174.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -60.07 -44.65 94.58 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 120.62 -1.3 . . . . 1.0 113.418 177.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.8 tp -64.47 -43.32 94.57 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 121.392 -0.817 . . . . 1.0 113.124 175.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.0 tp -62.77 -43.28 99.22 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 120.715 -1.241 . . . . 1.0 114.009 177.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -61.66 -40.35 94.63 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.565 -1.334 . . . . 1.0 112.353 174.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -62.13 -44.03 97.53 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 124.021 0.929 . . . . 1.0 112.506 172.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -61.77 -44.56 96.65 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 120.105 -1.622 . . . . 1.0 114.723 173.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 98.2 mtp -74.98 -17.28 60.56 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 119.693 -1.88 . . . . 1.0 113.477 -178.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.3 p -94.46 -0.47 54.71 Favored 'General case' 0 C--N 1.345 0.387 0 O-C-N 120.221 -1.549 . . . . 1.0 110.895 172.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -140.88 62.59 17.45 Favored Pre-proline 0 C--N 1.351 0.645 0 O-C-N 121.129 -0.982 . . . . 1.0 112.904 174.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -78.61 150.7 24.79 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 123.605 2.87 . . . . 1.0 111.877 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 64.01 37.37 9.31 Favored 'General case' 0 C--N 1.347 0.459 0 C-N-CA 127.051 2.14 . . . . 1.0 112.437 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -137.32 126.99 25.33 Favored 'General case' 0 C--N 1.346 0.426 0 O-C-N 120.911 -1.118 . . . . 1.0 109.593 -170.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 18.6 t -92.87 129.73 42.98 Favored 'Isoleucine or valine' 0 C--N 1.345 0.407 0 CA-C-O 122.816 1.293 . . . . 1.0 111.324 -175.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -129.38 132.0 46.95 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 125.852 1.661 . . . . 1.0 108.014 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.4 p -74.08 165.41 25.19 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.175 1.39 . . . . 1.0 111.105 169.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 75.4 mtt85 -59.7 -38.12 80.74 Favored 'General case' 0 C--N 1.35 0.629 0 O-C-N 120.486 -1.384 . . . . 1.0 111.895 175.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -57.82 -44.37 86.36 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.647 1.179 . . . . 1.0 113.584 172.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -66.88 -41.22 87.59 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 120.039 -1.663 . . . . 1.0 112.496 175.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.27 -39.77 95.52 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 120.194 -1.566 . . . . 1.0 113.979 174.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.0 mt -60.4 -45.2 94.43 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.567 -1.333 . . . . 1.0 112.771 171.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -60.43 -45.61 93.01 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 113.369 0.878 . . . . 1.0 113.369 175.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -79.64 -45.12 19.66 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 115.848 1.796 . . . . 1.0 115.848 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.7 t -88.83 -46.33 15.49 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 O-C-N 120.167 -1.583 . . . . 1.0 112.503 -170.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 13.8 m-90 -84.49 -42.78 15.22 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 120.87 -1.144 . . . . 1.0 111.03 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 113.94 166.77 16.03 Favored Glycine 0 C--N 1.346 1.127 0 CA-C-O 122.497 1.054 . . . . 1.0 113.516 -173.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.9 p -97.69 -9.64 26.38 Favored 'General case' 0 C--N 1.345 0.412 0 O-C-N 120.594 -1.533 . . . . 1.0 114.409 -169.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -96.01 -2.48 46.8 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 119.685 -1.884 . . . . 1.0 109.346 169.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.3 t -92.79 146.21 6.67 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 C-N-CA 125.869 1.668 . . . . 1.0 108.895 174.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -145.63 140.37 27.29 Favored 'General case' 0 C--N 1.346 0.423 0 O-C-N 120.592 -1.317 . . . . 1.0 109.856 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.1 m -155.33 170.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.453 0 N-CA-C 104.748 -2.316 . . . . 1.0 104.748 -178.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -70.62 157.47 37.89 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.835 -1.166 . . . . 1.0 110.625 172.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -64.63 -28.78 69.85 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 125.959 1.704 . . . . 1.0 110.811 -176.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -15.02 61.43 Favored 'General case' 0 N--CA 1.434 -1.243 0 C-N-CA 126.548 1.939 . . . . 1.0 113.849 -179.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.3 m -64.89 -30.36 71.36 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 119.798 -1.814 . . . . 1.0 111.884 168.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.2 t -65.7 -47.12 87.17 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 O-C-N 120.491 -1.381 . . . . 1.0 112.367 168.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.38 -44.95 84.89 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 125.398 1.479 . . . . 1.0 113.734 178.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.86 -42.8 97.04 Favored 'Isoleucine or valine' 0 C--N 1.347 0.476 0 C-N-CA 124.689 1.196 . . . . 1.0 112.207 174.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 53.3 m-70 -66.65 -34.48 77.96 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 119.651 -1.906 . . . . 1.0 114.287 174.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.9 mm -60.91 -43.03 94.94 Favored 'Isoleucine or valine' 0 C--N 1.344 0.336 0 O-C-N 120.172 -1.58 . . . . 1.0 112.354 171.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -61.08 -45.15 95.9 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.908 -1.12 . . . . 1.0 112.894 171.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -62.18 -39.51 92.96 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 120.47 -1.394 . . . . 1.0 113.877 176.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 41.5 tp -64.72 -45.32 87.05 Favored 'General case' 0 C--N 1.349 0.554 0 N-CA-C 113.885 1.068 . . . . 1.0 113.885 172.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -60.96 -43.52 98.63 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 120.087 -1.633 . . . . 1.0 113.569 172.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -60.15 -37.35 79.85 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 120.423 -1.423 . . . . 1.0 113.044 174.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.57 -38.45 91.18 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 115.355 1.613 . . . . 1.0 115.355 172.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.0 mt -94.57 -6.83 42.74 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 120.769 -1.207 . . . . 1.0 111.643 -174.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -61.92 -43.81 88.19 Favored Pre-proline 0 C--N 1.349 0.56 0 C-N-CA 125.816 1.646 . . . . 1.0 114.796 174.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -57.32 -24.97 62.92 Favored 'Trans proline' 0 CA--C 1.515 -0.448 0 C-N-CA 123.328 2.685 . . . . 1.0 114.395 168.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -95.59 0.97 63.56 Favored Glycine 0 C--N 1.346 1.115 0 C-N-CA 124.346 0.974 . . . . 1.0 114.183 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 60.67 28.65 68.3 Favored Glycine 0 C--N 1.351 1.374 0 CA-C-N 119.071 1.435 . . . . 1.0 115.359 -178.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 47.1 m80 -127.56 13.06 6.98 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 121.147 -1.208 . . . . 1.0 112.343 -174.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -56.38 -31.36 63.76 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 125.823 1.649 . . . . 1.0 114.19 167.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -56.55 -29.05 61.51 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 127.853 2.461 . . . . 1.0 116.253 178.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 40.9 mtp -65.28 -34.04 77.4 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 119.707 -1.871 . . . . 1.0 113.86 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 40.8 t -76.1 111.41 12.58 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 C-N-CA 125.525 1.53 . . . . 1.0 111.067 174.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -117.23 150.0 39.48 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 120.399 -1.438 . . . . 1.0 110.785 -172.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 27.9 m -111.44 137.3 49.42 Favored 'General case' 0 CA--C 1.51 -0.58 0 C-N-CA 123.884 0.873 . . . . 1.0 109.42 -176.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.6 t -118.95 109.71 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 O-C-N 120.77 -1.206 . . . . 1.0 107.895 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 44.3 ttt85 -54.79 111.68 0.87 Allowed 'General case' 0 C--N 1.354 0.783 0 N-CA-C 115.164 1.542 . . . . 1.0 115.164 -172.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.01 0.82 89.41 Favored Glycine 0 C--N 1.35 1.306 0 O-C-N 120.463 -1.398 . . . . 1.0 113.741 175.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.2 m -119.99 -36.19 3.33 Favored 'General case' 0 CA--C 1.51 -0.576 0 C-N-CA 123.976 0.91 . . . . 1.0 109.593 -174.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 138.65 -129.03 4.33 Favored Glycine 0 C--N 1.351 1.365 0 O-C-N 120.533 -1.354 . . . . 1.0 112.733 177.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -139.18 165.44 27.14 Favored 'General case' 0 CA--C 1.509 -0.604 0 O-C-N 121.649 -0.913 . . . . 1.0 111.098 -172.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -145.68 147.05 31.56 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.59 1.156 . . . . 1.0 108.557 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -117.49 141.68 48.06 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 106.767 -1.568 . . . . 1.0 106.767 174.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.0 t -143.84 141.0 30.12 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 120.41 -1.431 . . . . 1.0 112.711 -173.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.1 p -104.99 -4.69 21.75 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 123.875 0.87 . . . . 1.0 111.829 174.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -110.83 -17.3 13.37 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.919 -1.113 . . . . 1.0 113.652 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 . . . . . 0 C--O 1.26 1.652 0 O-C-N 121.207 -0.933 . . . . 1.0 109.848 178.885 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.552 5.169 0 O5'-C5'-C4' 115.14 3.529 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.399 0 P-O3'-C3' 124.223 3.769 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.278 0 OP1-P-OP2 116.904 -1.798 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.082 0 C5'-C4'-C3' 118.835 2.756 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.105 0 P-O5'-C5' 116.225 -2.922 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.946 0 OP1-P-OP2 115.274 -2.884 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.091 0 OP1-P-OP2 116.594 -2.004 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.049 0 P-O5'-C5' 116.53 -2.731 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.99 0 OP1-P-OP2 114.739 -3.241 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.956 0 OP1-P-OP2 116.045 -2.37 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.568 -3.268 1 P-O3'-C3' 126.536 5.696 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.574 4.578 1 O4'-C1'-C2' 100.11 -5.445 . . . . 1.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.269 0 OP1-P-OP2 115.83 -2.513 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.848 0 O5'-C5'-C4' 113.323 2.231 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.606 0 P-O3'-C3' 122.648 2.457 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.785 0 OP1-P-OP2 116.074 -2.351 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.4 0 O5'-C5'-C4' 114.104 2.789 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.573 -2.833 1 O4'-C1'-C2' 101.495 -4.186 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.559 -3.977 1 P-O3'-C3' 125.426 4.772 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.933 0 O4'-C1'-C2' 103.485 -2.378 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.557 -4.182 1 P-O3'-C3' 124.632 4.11 . . . . 1.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.372 0 P-O3'-C3' 123.404 3.087 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.56 -3.926 0 OP1-P-OP2 116.0 -2.4 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.564 -3.544 0 OP1-P-OP2 115.534 -2.711 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.548 0 P-O3'-C3' 124.071 3.642 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.721 1 O4'-C1'-C2' 100.988 -4.648 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.642 0 P-O3'-C3' 122.757 2.548 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.566 -3.437 0 P-O3'-C3' 124.113 3.677 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.565 -3.54 0 P-O3'-C3' 123.203 2.919 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.651 0 OP1-P-OP2 116.439 -2.107 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.705 0 OP1-P-OP2 116.275 -2.217 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.507 0 O4'-C1'-C2' 102.231 -3.517 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 113.15 0.796 . . . . 1.0 113.15 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.37 -45.16 40.94 Favored 'General case' 0 C--N 1.35 0.587 0 O-C-N 120.134 -1.604 . . . . 1.0 113.272 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.2 m -61.93 145.99 12.6 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 N-CA-C 114.19 1.182 . . . . 1.0 114.19 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -68.61 -39.33 80.89 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.365 -1.46 . . . . 1.0 113.157 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.276 28.1 tt0 97.87 127.7 0.01 OUTLIER 'General case' 0 C--N 1.354 0.789 0 C-N-CA 129.217 3.007 . . . . 1.0 112.309 178.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.2 t -61.26 138.14 22.45 Favored 'Isoleucine or valine' 0 C--N 1.349 0.554 0 C-N-CA 124.995 1.318 . . . . 1.0 112.705 176.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.6 mt -111.67 117.79 55.99 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 N-CA-C 106.83 -1.544 . . . . 1.0 106.83 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -127.08 119.43 26.53 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 121.342 -0.849 . . . . 1.0 110.308 -174.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -162.02 149.01 13.89 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-O 121.946 0.879 . . . . 1.0 111.161 172.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 50.62 49.62 20.5 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 127.207 2.203 . . . . 1.0 115.882 177.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.05 3.0 73.98 Favored Glycine 0 C--N 1.348 1.245 0 N-CA-C 115.293 0.877 . . . . 1.0 115.293 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.0 tp -122.33 130.54 53.23 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 123.592 0.757 . . . . 1.0 110.908 -174.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.6 p -127.82 126.14 41.11 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 122.864 1.316 . . . . 1.0 112.62 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.3 tt -124.26 126.38 45.98 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 120.222 -1.549 . . . . 1.0 110.019 -175.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -112.43 109.61 53.64 Favored Pre-proline 0 C--N 1.349 0.55 0 N-CA-C 107.378 -1.341 . . . . 1.0 107.378 177.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.78 -29.84 34.86 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 122.576 2.184 . . . . 1.0 111.698 175.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.3 m -63.16 -41.21 99.22 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 125.02 1.328 . . . . 1.0 112.094 -178.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.9 m -101.18 -2.89 30.18 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 121.024 -1.048 . . . . 1.0 112.846 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.6 m170 61.87 38.77 14.35 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 125.314 1.446 . . . . 1.0 114.428 -178.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.3 ttt180 -124.26 133.54 53.47 Favored 'General case' 0 N--CA 1.444 -0.742 0 O-C-N 121.49 -0.756 . . . . 1.0 112.494 -171.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.2 t -112.54 130.37 66.42 Favored 'Isoleucine or valine' 0 C--N 1.346 0.425 0 N-CA-C 107.123 -1.436 . . . . 1.0 107.123 172.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.8 mtp -124.82 146.65 49.15 Favored 'General case' 0 N--CA 1.443 -0.811 0 O-C-N 121.131 -0.98 . . . . 1.0 109.179 174.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.71 115.36 21.28 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 106.297 -1.742 . . . . 1.0 106.297 168.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.83 -129.71 35.89 Favored Glycine 0 C--N 1.349 1.279 0 O-C-N 121.532 -0.73 . . . . 1.0 112.399 -165.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -97.26 10.43 39.55 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 121.408 -1.054 . . . . 1.0 112.046 178.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -112.78 122.65 35.58 Favored Pre-proline 0 N--CA 1.445 -0.694 0 O-C-N 121.052 -1.03 . . . . 1.0 111.202 -172.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.93 145.67 32.01 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.771 2.314 . . . . 1.0 111.65 175.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.9 mt -103.47 159.6 15.45 Favored 'General case' 0 CA--C 1.512 -0.498 0 C-N-CA 124.049 0.94 . . . . 1.0 111.091 -178.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -119.24 126.22 51.0 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.852 0.834 . . . . 1.0 110.556 -177.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.0 ptp -159.5 171.37 19.8 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 107.161 -1.422 . . . . 1.0 107.161 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.66 173.02 43.28 Favored Glycine 0 C--N 1.352 1.431 0 O-C-N 120.761 -1.212 . . . . 1.0 113.165 175.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -63.11 -37.89 49.26 Favored 'Trans proline' 0 C--N 1.33 -0.422 0 C-N-CA 123.307 2.671 . . . . 1.0 114.526 -178.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.7 m -64.7 -41.61 95.89 Favored 'General case' 0 C--N 1.347 0.494 0 C-N-CA 123.98 0.912 . . . . 1.0 111.831 176.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -62.66 -42.01 99.38 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.769 -1.207 . . . . 1.0 112.639 171.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -59.71 -47.56 85.15 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 124.267 1.027 . . . . 1.0 112.955 175.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -63.84 -41.54 97.8 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 120.786 -1.196 . . . . 1.0 113.101 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.1 tp -62.02 -43.93 97.79 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 121.04 -1.037 . . . . 1.0 113.106 172.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.4 tp -63.8 -40.99 97.96 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.731 -1.231 . . . . 1.0 113.224 174.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -58.81 -44.67 90.87 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 120.526 -1.359 . . . . 1.0 112.192 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.58 -46.12 91.2 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 121.281 -0.887 . . . . 1.0 112.934 174.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -62.89 -42.17 99.68 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 115.035 1.495 . . . . 1.0 115.035 173.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 87.9 mtp -72.52 -19.33 61.54 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 119.522 -1.986 . . . . 1.0 114.048 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.0 t -98.59 6.64 46.93 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.769 -1.207 . . . . 1.0 111.197 170.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -141.64 62.66 15.41 Favored Pre-proline 0 C--N 1.356 0.868 0 O-C-N 120.362 -1.461 . . . . 1.0 113.861 170.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -77.3 155.23 32.61 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 123.159 2.573 . . . . 1.0 112.042 177.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 61.61 45.81 7.8 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 127.104 2.162 . . . . 1.0 113.729 177.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -150.33 140.59 22.23 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.445 -0.946 . . . . 1.0 108.445 172.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.4 t -84.94 137.22 21.21 Favored 'Isoleucine or valine' 0 C--N 1.346 0.451 0 CA-C-O 122.45 1.119 . . . . 1.0 110.428 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -125.95 126.31 44.15 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 106.751 -1.574 . . . . 1.0 106.751 173.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.9 p -64.21 158.65 22.57 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 121.451 -0.781 . . . . 1.0 111.589 169.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -58.6 -36.51 74.14 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 120.318 -1.489 . . . . 1.0 111.759 174.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -59.43 -43.44 93.1 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 113.929 1.085 . . . . 1.0 113.929 171.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -65.79 -42.51 90.64 Favored 'General case' 0 C--N 1.361 1.079 0 O-C-N 119.847 -1.783 . . . . 1.0 112.68 173.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.55 -42.19 98.46 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.967 -1.083 . . . . 1.0 112.594 176.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 58.6 mt -59.12 -48.9 79.91 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 121.332 -0.855 . . . . 1.0 112.812 171.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -62.0 -44.42 96.76 Favored 'General case' 0 C--N 1.346 0.451 0 O-C-N 120.906 -1.121 . . . . 1.0 113.615 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -72.29 -42.17 65.82 Favored 'General case' 0 C--N 1.347 0.463 0 N-CA-C 116.716 2.117 . . . . 1.0 116.716 177.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.3 t -104.39 -36.31 3.88 Favored 'Isoleucine or valine' 0 C--N 1.351 0.655 0 O-C-N 120.152 -1.592 . . . . 1.0 112.773 -167.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 10.2 m-90 -90.36 -41.17 11.65 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 120.803 -1.186 . . . . 1.0 109.843 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 125.34 162.01 11.2 Favored Glycine 0 C--N 1.346 1.122 0 CA-C-O 123.541 1.634 . . . . 1.0 113.816 -177.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.2 p -83.92 -20.21 33.36 Favored 'General case' 0 CA--C 1.514 -0.425 0 O-C-N 120.789 -1.418 . . . . 1.0 112.081 -177.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -100.58 22.32 12.0 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.337 1.055 . . . . 1.0 110.348 175.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.5 t -113.6 136.79 48.88 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.69 0 N-CA-C 107.391 -1.337 . . . . 1.0 107.391 177.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -125.93 9.0 7.48 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 122.953 1.358 . . . . 1.0 113.76 -149.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.9 m -53.12 154.69 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 128.352 2.661 . . . . 1.0 115.578 175.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -59.86 157.65 12.01 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 125.248 1.419 . . . . 1.0 113.166 165.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -62.31 -28.47 69.76 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 120.657 -1.277 . . . . 1.0 113.358 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -72.55 -17.94 61.67 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 120.623 -1.298 . . . . 1.0 114.115 -169.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.9 t -70.43 -20.92 62.87 Favored 'General case' 0 C--N 1.354 0.792 0 O-C-N 119.728 -1.857 . . . . 1.0 112.418 172.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.0 t -64.42 -47.61 88.69 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 O-C-N 119.538 -1.976 . . . . 1.0 111.78 167.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.23 -44.0 92.35 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 124.929 1.292 . . . . 1.0 112.796 177.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 69.2 t -64.1 -43.71 97.52 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 C-N-CA 125.2 1.4 . . . . 1.0 113.178 175.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -68.78 -34.68 75.96 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 119.598 -1.939 . . . . 1.0 112.938 175.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.8 mm -61.17 -41.28 88.86 Favored 'Isoleucine or valine' 0 C--N 1.35 0.618 0 O-C-N 120.307 -1.496 . . . . 1.0 112.858 170.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.8 ttt-85 -58.64 -44.39 90.06 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 120.493 -1.38 . . . . 1.0 113.027 173.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 68.2 mtt-85 -62.4 -42.28 99.31 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 124.623 1.169 . . . . 1.0 113.925 174.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.9 tp -62.81 -44.95 94.81 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.141 0.976 . . . . 1.0 113.089 176.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -59.22 -43.08 92.34 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.275 -1.515 . . . . 1.0 114.566 171.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -59.85 -39.07 83.94 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 121.001 -1.062 . . . . 1.0 113.731 178.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.21 -40.06 95.28 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 114.539 1.311 . . . . 1.0 114.539 171.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 66.7 mt -90.32 -11.03 41.93 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 119.906 -1.746 . . . . 1.0 112.813 -173.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -66.98 -41.72 37.65 Favored Pre-proline 0 C--N 1.344 0.359 0 N-CA-C 117.126 2.269 . . . . 1.0 117.126 -177.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -59.96 -34.47 95.08 Favored 'Trans proline' 0 CA--C 1.521 -0.163 0 CA-C-N 124.902 2.787 . . . . 1.0 114.956 176.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -86.15 -4.21 84.3 Favored Glycine 0 C--N 1.347 1.168 0 CA-C-N 119.074 0.852 . . . . 1.0 114.831 172.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 73.57 33.62 58.08 Favored Glycine 0 C--N 1.347 1.18 0 O-C-N 120.645 -1.503 . . . . 1.0 115.695 177.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -107.65 -6.16 17.05 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 120.871 -1.37 . . . . 1.0 112.087 178.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -56.1 -40.61 73.94 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 126.665 1.986 . . . . 1.0 115.127 175.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -70.37 -14.41 62.56 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 126.923 2.089 . . . . 1.0 114.387 -170.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -93.54 2.4 56.42 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 121.243 -0.911 . . . . 1.0 112.049 173.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.6 t -91.36 96.13 6.07 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 N-CA-C 107.09 -1.448 . . . . 1.0 107.09 164.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -97.77 156.16 16.7 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 120.785 -1.197 . . . . 1.0 111.765 -168.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 86.6 m -111.59 140.44 46.2 Favored 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 123.644 0.778 . . . . 1.0 109.953 -177.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.8 t -116.5 110.56 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 C-N-CA 124.765 1.226 . . . . 1.0 108.042 174.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 53.2 ttt-85 -58.37 127.15 30.68 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 125.789 1.636 . . . . 1.0 113.403 -176.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.21 3.98 90.56 Favored Glycine 0 C--N 1.349 1.256 0 C-N-CA 124.609 1.099 . . . . 1.0 114.085 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 96.2 m -139.7 -63.08 0.51 Allowed 'General case' 0 CA--C 1.51 -0.561 0 CA-C-N 118.556 1.178 . . . . 1.0 111.695 -171.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 169.68 -130.93 2.14 Favored Glycine 0 C--N 1.347 1.187 0 O-C-N 119.762 -1.836 . . . . 1.0 113.385 -172.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -145.93 164.92 30.49 Favored 'General case' 0 C--N 1.346 0.43 0 O-C-N 121.535 -0.98 . . . . 1.0 111.344 -165.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 70.3 ttt-85 -148.39 145.5 28.08 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 124.806 1.243 . . . . 1.0 109.002 -174.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -117.99 144.99 45.06 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 120.286 -1.509 . . . . 1.0 109.794 176.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.7 t -140.58 163.7 32.14 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 120.391 -1.443 . . . . 1.0 111.637 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 35.3 p -107.76 -1.76 20.65 Favored 'General case' 0 CA--C 1.512 -0.507 0 C-N-CA 124.489 1.116 . . . . 1.0 109.299 169.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -143.8 -110.79 0.11 Allowed 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 124.267 1.027 . . . . 1.0 108.372 -178.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 . . . . . 0 C--O 1.262 1.742 0 O-C-N 120.955 -1.091 . . . . 1.0 111.841 -178.35 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.201 0 O5'-C5'-C4' 115.049 3.464 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.534 0 OP1-P-OP2 116.233 -2.245 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.564 -3.624 0 P-O5'-C5' 116.252 -2.905 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.569 -3.18 0 P-O5'-C5' 117.216 -2.303 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.571 -3.001 0 OP1-P-OP2 116.54 -2.04 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.638 0 OP1-P-OP2 116.475 -2.083 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.619 0 P-O3'-C3' 123.77 3.392 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.545 0 O4'-C1'-C2' 102.845 -2.959 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.252 0 OP1-P-OP2 115.856 -2.496 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.561 -3.827 1 P-O3'-C3' 124.836 4.28 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.897 0 OP1-P-OP2 116.432 -2.112 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.565 -3.501 0 P-O3'-C3' 124.27 3.808 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.647 0 N19-C1'-C2' 117.566 2.104 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.24 0 O4'-C1'-C2' 102.607 -3.175 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.299 0 OP1-P-OP2 116.296 -2.203 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.205 0 C4'-C3'-O3' 115.116 2.189 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.255 0 O5'-C5'-C4' 114.424 3.017 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.455 0 OP1-P-OP2 115.282 -2.878 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.061 0 OP1-P-OP2 116.151 -2.299 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.567 -3.337 0 OP1-P-OP2 116.244 -2.237 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.052 0 OP1-P-OP2 116.278 -2.215 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.275 0 P-O5'-C5' 116.585 -2.697 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.564 -3.56 0 P-O3'-C3' 123.812 3.427 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.566 -3.38 0 P-O5'-C5' 115.339 -3.476 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.569 -3.153 0 P-O3'-C3' 122.992 2.744 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.898 0 P-O5'-C5' 115.266 -3.521 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.955 0 P-O5'-C5' 116.69 -2.631 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.26 0 P-O3'-C3' 123.417 3.098 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.004 0 OP1-P-OP2 116.11 -2.327 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.024 0 OP1-P-OP2 115.816 -2.523 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.283 0 OP1-P-OP2 116.018 -2.388 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.157 0 OP1-P-OP2 115.949 -2.434 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 CA--C 1.537 0.447 0 N-CA-C 117.033 2.235 . . . . 1.0 117.033 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.5 mt -109.41 123.54 65.38 Favored 'Isoleucine or valine' 0 C--N 1.346 0.445 0 N-CA-C 106.274 -1.75 . . . . 1.0 106.274 173.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -127.71 117.28 21.63 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 121.161 -0.962 . . . . 1.0 110.979 177.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 18.5 ptm -147.59 134.35 20.03 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 120.734 -1.229 . . . . 1.0 109.781 -174.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 47.59 45.49 17.7 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 116.01 1.856 . . . . 1.0 116.01 177.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.77 5.85 86.69 Favored Glycine 0 C--N 1.348 1.242 0 O-C-N 120.041 -1.662 . . . . 1.0 115.864 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.9 tp -119.07 127.81 53.75 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 118.858 1.329 . . . . 1.0 109.047 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 87.9 p -124.33 128.82 49.67 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-O 122.488 1.137 . . . . 1.0 112.105 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.8 tt -125.26 126.54 45.31 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 120.473 -1.392 . . . . 1.0 109.11 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -109.86 110.9 58.99 Favored Pre-proline 0 N--CA 1.448 -0.535 0 O-C-N 121.1 -1.0 . . . . 1.0 108.392 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -66.52 -28.89 45.2 Favored 'Trans proline' 0 CA--C 1.511 -0.652 0 C-N-CA 122.691 2.261 . . . . 1.0 113.39 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.4 m -72.17 -45.04 62.04 Favored 'General case' 0 C--N 1.348 0.522 0 CA-C-O 122.003 0.906 . . . . 1.0 111.16 -177.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -89.83 -9.9 47.41 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 120.445 -1.409 . . . . 1.0 112.538 -174.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 35.8 m170 61.58 44.97 8.59 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 125.523 1.529 . . . . 1.0 111.627 -172.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -123.62 122.21 37.56 Favored 'General case' 0 N--CA 1.447 -0.605 0 O-C-N 121.555 -0.716 . . . . 1.0 111.234 -165.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.2 t -112.01 129.39 67.56 Favored 'Isoleucine or valine' 0 C--N 1.346 0.428 0 N-CA-C 107.146 -1.427 . . . . 1.0 107.146 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 46.5 mtp -135.27 145.53 47.65 Favored 'General case' 0 N--CA 1.446 -0.626 0 O-C-N 120.78 -1.2 . . . . 1.0 108.903 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.25 120.28 32.64 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 107.387 -1.338 . . . . 1.0 107.387 175.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.78 29.57 72.59 Favored Glycine 0 C--N 1.348 1.228 0 O-C-N 121.144 -0.972 . . . . 1.0 114.465 -175.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 63.27 34.72 13.05 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 126.781 2.032 . . . . 1.0 114.118 -173.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -130.53 129.99 22.87 Favored Pre-proline 0 N--CA 1.45 -0.444 0 N-CA-C 107.258 -1.386 . . . . 1.0 107.258 171.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -68.2 155.63 68.71 Favored 'Trans proline' 0 C--N 1.332 -0.328 0 C-N-CA 123.025 2.483 . . . . 1.0 115.165 -169.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.8 mt -124.79 155.94 38.55 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 106.676 -1.601 . . . . 1.0 106.676 169.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -126.8 133.27 50.84 Favored 'General case' 0 C--N 1.343 0.291 0 O-C-N 121.595 -0.691 . . . . 1.0 111.307 -169.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.9 ptp -160.71 158.44 28.72 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 122.173 0.987 . . . . 1.0 112.155 -178.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.96 174.56 43.23 Favored Glycine 0 C--N 1.349 1.256 0 C-N-CA 124.184 0.897 . . . . 1.0 115.098 175.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -78.77 -30.99 2.65 Favored 'Trans proline' 0 C--N 1.326 -0.654 0 C-N-CA 122.182 1.922 . . . . 1.0 112.879 -167.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.0 m -66.55 -39.41 88.52 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 120.303 1.411 . . . . 1.0 110.812 172.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -43.72 94.37 Favored 'General case' 0 C--N 1.348 0.539 0 C-N-CA 125.463 1.505 . . . . 1.0 111.893 174.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -61.07 -45.31 95.26 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 121.052 -1.03 . . . . 1.0 113.044 174.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -64.49 -41.29 96.55 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.503 -1.373 . . . . 1.0 113.711 178.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.6 tp -62.22 -43.14 99.5 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 120.584 -1.322 . . . . 1.0 113.02 172.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.4 tp -62.61 -42.44 99.58 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.845 -1.16 . . . . 1.0 113.299 173.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -60.62 -43.01 97.99 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 120.571 -1.331 . . . . 1.0 112.846 173.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -62.15 -46.02 90.84 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 120.749 -1.219 . . . . 1.0 112.816 173.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -64.43 -43.28 94.84 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.321 -1.487 . . . . 1.0 114.797 174.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 97.3 mtp -72.41 -20.86 61.35 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 119.667 -1.896 . . . . 1.0 113.667 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.2 p -84.99 -12.54 53.01 Favored 'General case' 0 C--N 1.345 0.405 0 O-C-N 120.351 -1.468 . . . . 1.0 111.533 170.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -133.2 62.76 62.96 Favored Pre-proline 0 C--N 1.35 0.63 0 N-CA-C 114.735 1.383 . . . . 1.0 114.735 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -74.22 149.72 41.08 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.621 2.214 . . . . 1.0 111.404 172.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.462 ' CD ' HH21 ' A' ' 99' ' ' ARG . 8.5 tp10 68.15 48.04 0.97 Allowed 'General case' 0 C--N 1.349 0.553 0 C-N-CA 125.971 1.708 . . . . 1.0 113.205 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -151.5 140.45 21.03 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 120.081 -1.637 . . . . 1.0 110.101 172.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.3 t -88.8 134.95 26.95 Favored 'Isoleucine or valine' 0 C--N 1.346 0.453 0 O-C-N 120.785 -1.197 . . . . 1.0 110.363 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -126.34 126.6 44.18 Favored 'General case' 0 CA--C 1.507 -0.697 0 C-N-CA 125.153 1.381 . . . . 1.0 108.802 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 81.9 p -74.0 164.44 26.63 Favored 'General case' 0 C--N 1.345 0.4 0 O-C-N 121.263 -0.898 . . . . 1.0 110.977 170.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -60.52 -32.87 71.88 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.291 -1.506 . . . . 1.0 112.483 177.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.56 -44.51 93.24 Favored 'General case' 0 C--N 1.35 0.593 0 N-CA-C 114.769 1.396 . . . . 1.0 114.769 170.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -65.31 -41.92 93.57 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.648 -1.282 . . . . 1.0 112.176 177.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.44 -41.78 98.98 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 121.249 -0.907 . . . . 1.0 112.836 174.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 66.2 mt -60.67 -47.4 86.43 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 120.496 -1.378 . . . . 1.0 113.94 173.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -64.36 -43.59 94.07 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 120.71 -1.244 . . . . 1.0 113.456 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -71.5 -48.31 49.79 Favored 'General case' 0 C--N 1.349 0.577 0 N-CA-C 115.961 1.838 . . . . 1.0 115.961 175.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.3 t -94.91 -53.33 8.43 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.499 0 O-C-N 119.65 -1.906 . . . . 1.0 111.85 -165.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 16.1 m-90 -71.66 -44.08 64.94 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 121.14 -0.975 . . . . 1.0 111.442 176.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 124.82 153.17 8.48 Favored Glycine 0 C--N 1.345 1.045 0 CA-C-O 122.472 1.04 . . . . 1.0 112.303 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 52.8 p -64.36 -43.25 95.12 Favored 'General case' 0 C--N 1.342 0.281 0 C-N-CA 125.766 1.626 . . . . 1.0 114.091 -176.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -101.84 7.26 41.72 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 120.679 -1.263 . . . . 1.0 110.545 -173.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.6 t -89.38 140.85 15.17 Favored 'Isoleucine or valine' 0 C--N 1.346 0.448 0 C-N-CA 125.628 1.571 . . . . 1.0 108.35 175.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -128.77 127.01 41.14 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 122.466 1.127 . . . . 1.0 112.878 -171.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.5 m -154.54 174.83 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.448 0 C-N-CA 127.58 2.352 . . . . 1.0 105.513 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -74.68 157.39 35.39 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 124.243 1.017 . . . . 1.0 112.371 169.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.19 -29.35 69.75 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 125.189 1.396 . . . . 1.0 112.218 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -88.04 6.02 38.14 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.698 -1.251 . . . . 1.0 112.517 -176.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.8 m -62.57 -36.36 82.45 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 119.816 -1.802 . . . . 1.0 111.447 156.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.4 t -61.68 -45.36 98.83 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 O-C-N 120.411 -1.43 . . . . 1.0 112.453 176.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.06 -46.23 79.02 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 126.165 1.786 . . . . 1.0 113.887 178.035 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 80.1 t -65.02 -42.15 93.92 Favored 'Isoleucine or valine' 0 C--N 1.346 0.444 0 C-N-CA 124.327 1.051 . . . . 1.0 112.114 175.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -68.24 -35.71 78.35 Favored 'General case' 0 C--N 1.345 0.372 0 O-C-N 119.998 -1.689 . . . . 1.0 113.879 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 9.7 mm -60.13 -42.26 89.43 Favored 'Isoleucine or valine' 0 C--N 1.348 0.501 0 O-C-N 120.604 -1.31 . . . . 1.0 112.083 170.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -61.38 -44.08 97.77 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 120.771 -1.206 . . . . 1.0 112.79 171.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.68 -41.5 97.65 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.839 -1.163 . . . . 1.0 113.889 175.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.7 tp -65.2 -45.45 84.73 Favored 'General case' 0 C--N 1.348 0.523 0 N-CA-C 113.565 0.95 . . . . 1.0 113.565 173.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -60.64 -44.23 96.62 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 119.926 -1.734 . . . . 1.0 113.539 172.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -58.59 -40.4 83.08 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 124.749 1.219 . . . . 1.0 112.698 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.65 -38.16 90.07 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 115.451 1.648 . . . . 1.0 115.451 173.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.8 mt -95.14 -9.81 32.43 Favored 'General case' 0 C--N 1.358 0.966 0 O-C-N 120.623 -1.298 . . . . 1.0 111.623 -174.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -60.1 -45.96 97.92 Favored Pre-proline 0 C--N 1.346 0.456 0 CA-C-O 116.491 -1.719 . . . . 1.0 115.546 177.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -76.56 -14.88 17.69 Favored 'Trans proline' 0 CA--C 1.515 -0.467 0 CA-C-N 125.181 2.886 . . . . 1.0 110.534 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -89.16 1.49 82.76 Favored Glycine 0 C--N 1.345 1.076 0 C-N-CA 124.696 1.141 . . . . 1.0 113.322 171.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 74.57 15.16 80.64 Favored Glycine 0 C--N 1.351 1.378 0 CA-C-N 118.664 1.232 . . . . 1.0 115.65 174.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -122.11 9.0 9.83 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 121.071 -1.252 . . . . 1.0 114.235 -169.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -54.83 -35.38 63.89 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 115.374 1.62 . . . . 1.0 115.374 169.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.5 ptt-85 -69.76 -13.65 62.39 Favored 'General case' 0 C--N 1.349 0.569 0 N-CA-C 116.131 1.9 . . . . 1.0 116.131 -174.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 58.9 mtp -66.03 -36.25 82.75 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 120.681 -1.262 . . . . 1.0 113.089 168.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 56.3 t -80.42 98.06 3.38 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 C-N-CA 126.753 2.021 . . . . 1.0 110.418 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -114.67 161.07 18.6 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 124.521 1.129 . . . . 1.0 112.536 -168.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.1 m -116.71 131.09 57.04 Favored 'General case' 0 CA--C 1.508 -0.643 0 C-N-CA 124.252 1.021 . . . . 1.0 111.718 -168.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.0 t -110.25 103.03 14.84 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 N-CA-C 107.353 -1.351 . . . . 1.0 107.353 174.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.15 128.67 36.9 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.71 -1.244 . . . . 1.0 113.039 -176.137 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.45 5.61 89.39 Favored Glycine 0 C--N 1.351 1.371 0 C-N-CA 124.137 0.875 . . . . 1.0 114.438 -178.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 57.3 m -139.93 -60.18 0.54 Allowed 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 118.2 1.0 . . . . 1.0 110.884 -178.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 170.16 -133.43 2.81 Favored Glycine 0 C--N 1.349 1.274 0 O-C-N 119.879 -1.763 . . . . 1.0 113.582 -173.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -139.23 163.1 33.34 Favored 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 121.699 -0.883 . . . . 1.0 109.809 -170.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.462 HH21 ' CD ' ' A' ' 46' ' ' GLU . 56.7 ttt-85 -146.37 150.29 35.4 Favored 'General case' 0 C--N 1.347 0.48 0 N-CA-C 107.947 -1.131 . . . . 1.0 107.947 -177.038 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -118.39 139.89 50.69 Favored 'General case' 0 C--N 1.348 0.534 0 O-C-N 120.405 -1.434 . . . . 1.0 107.77 176.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.7 t -150.53 147.19 27.17 Favored 'General case' 0 CA--C 1.509 -0.628 0 O-C-N 120.662 -1.274 . . . . 1.0 109.766 -171.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.5 p . . . . . 0 C--N 1.346 0.416 0 N-CA-C 113.781 1.03 . . . . 1.0 113.781 173.157 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.45 -0.447 0 N-CA-C 104.509 -2.404 . . . . 1.0 104.509 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.0 mt -116.11 124.13 72.08 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 N-CA-C 106.938 -1.504 . . . . 1.0 106.938 -178.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -124.21 120.61 32.77 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-O 122.432 1.11 . . . . 1.0 111.549 -173.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 47.3 mtt -133.68 124.33 26.55 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.865 1.266 . . . . 1.0 109.038 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 59.66 32.62 21.61 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 115.387 1.625 . . . . 1.0 115.387 167.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.42 3.87 90.55 Favored Glycine 0 C--N 1.352 1.441 0 O-C-N 120.078 -1.639 . . . . 1.0 115.839 -172.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.9 tp -112.24 124.84 53.32 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.896 1.278 . . . . 1.0 108.426 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.6 p -125.98 136.13 52.64 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 120.521 -1.362 . . . . 1.0 113.292 -177.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 tt -123.71 130.7 53.04 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 125.502 1.521 . . . . 1.0 110.459 -173.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -117.02 114.27 39.15 Favored Pre-proline 0 C--O 1.238 0.468 0 N-CA-C 107.29 -1.374 . . . . 1.0 107.29 177.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -65.29 -31.48 52.96 Favored 'Trans proline' 0 CA--C 1.513 -0.548 0 C-N-CA 122.666 2.244 . . . . 1.0 114.742 -178.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.9 m -73.88 -45.07 53.15 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 122.211 1.005 . . . . 1.0 110.335 -176.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.8 t -79.46 -17.27 54.58 Favored 'General case' 0 C--N 1.345 0.377 0 O-C-N 120.666 -1.271 . . . . 1.0 112.89 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.5 m170 63.54 36.78 10.88 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 125.599 1.56 . . . . 1.0 112.273 -173.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -117.49 126.0 51.85 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 121.393 -0.817 . . . . 1.0 111.021 -165.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.5 t -112.17 117.1 54.37 Favored 'Isoleucine or valine' 0 C--N 1.347 0.493 0 C-N-CA 124.738 1.215 . . . . 1.0 107.84 176.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 13.4 tpt -119.78 125.17 47.93 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 120.852 -1.155 . . . . 1.0 109.267 -172.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.98 107.71 16.04 Favored 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 120.384 -1.448 . . . . 1.0 108.639 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.19 -105.68 0.52 Allowed Glycine 0 C--N 1.351 1.385 0 O-C-N 120.577 -1.327 . . . . 1.0 114.217 -172.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.4 8.27 35.73 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.319 1.448 . . . . 1.0 113.266 176.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -119.19 126.41 27.06 Favored Pre-proline 0 C--N 1.349 0.58 0 O-C-N 120.194 -1.566 . . . . 1.0 113.611 -169.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -92.15 119.66 0.5 Allowed 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 121.795 1.663 . . . . 1.0 110.007 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.8 mt -84.85 165.23 17.89 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 124.197 0.999 . . . . 1.0 113.165 -172.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -127.55 126.93 43.06 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 121.194 -0.941 . . . . 1.0 111.288 -175.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.6 ptp -158.44 162.19 37.53 Favored 'General case' 0 N--CA 1.447 -0.583 0 O-C-N 121.517 -0.739 . . . . 1.0 110.27 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.8 157.02 52.43 Favored Glycine 0 C--N 1.352 1.425 0 O-C-N 120.66 -1.275 . . . . 1.0 113.952 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -49.61 -44.65 34.61 Favored 'Trans proline' 0 C--N 1.33 -0.42 0 C-N-CA 124.657 3.571 . . . . 1.0 115.353 170.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 89.8 m -61.67 -40.12 93.83 Favored 'General case' 0 C--N 1.348 0.5 0 C-N-CA 124.511 1.124 . . . . 1.0 112.275 175.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -63.5 -40.84 98.11 Favored 'General case' 0 C--N 1.354 0.788 0 O-C-N 120.31 -1.494 . . . . 1.0 113.072 170.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -60.82 -46.45 90.47 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 121.002 -1.061 . . . . 1.0 112.82 175.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -62.12 -41.17 97.98 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.781 -1.2 . . . . 1.0 112.446 175.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.4 tp -62.45 -45.04 94.89 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 120.704 -1.247 . . . . 1.0 113.341 174.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.8 tp -64.12 -39.6 94.39 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 120.748 -1.22 . . . . 1.0 113.171 174.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -60.14 -43.2 95.9 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.468 -1.395 . . . . 1.0 112.853 172.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -62.62 -43.95 97.52 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.815 -1.178 . . . . 1.0 112.681 172.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -61.58 -44.16 97.54 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 120.176 -1.578 . . . . 1.0 114.811 173.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 96.9 mtp -78.26 -13.14 59.98 Favored 'General case' 0 C--N 1.346 0.418 0 O-C-N 119.396 -2.065 . . . . 1.0 113.733 -178.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.5 p -93.99 -4.55 49.44 Favored 'General case' 0 C--N 1.345 0.389 0 O-C-N 120.388 -1.445 . . . . 1.0 110.767 169.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -144.97 65.4 12.04 Favored Pre-proline 0 C--N 1.353 0.738 0 N-CA-C 114.633 1.346 . . . . 1.0 114.633 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -74.76 149.0 37.25 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 123.1 2.533 . . . . 1.0 112.372 173.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . 0.286 23.5 mt-10 59.95 47.61 9.7 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 128.877 2.871 . . . . 1.0 116.441 176.073 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.9 mmt180 -137.31 164.6 28.18 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 105.854 -1.906 . . . . 1.0 105.854 168.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.2 t -113.97 133.76 58.95 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 N-CA-C 108.885 -0.783 . . . . 1.0 108.885 -177.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -126.7 129.3 48.15 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 124.485 1.114 . . . . 1.0 108.922 -178.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.9 p -72.21 164.3 26.47 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.988 0.899 . . . . 1.0 111.829 169.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -59.76 -35.83 75.4 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 120.581 -1.324 . . . . 1.0 112.467 174.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 57.8 mp0 -60.86 -42.09 97.17 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 120.496 -1.377 . . . . 1.0 114.365 169.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -72.82 -33.43 66.18 Favored 'General case' 0 C--O 1.275 2.441 0 CA-C-N 121.156 1.798 . . . . 1.0 110.693 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 1.602 ' CA ' ' CB ' ' A' ' 54' ' ' LEU 0.804 21.2 mt -85.73 -16.26 39.52 Favored 'General case' 2 CA--C 1.643 4.523 1 CA-C-O 105.682 -6.866 . . . . 1.0 104.153 -179.718 . . . . . . . . 5 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . 0.278 45.8 mt -74.54 -32.13 62.35 Favored 'General case' 0 N--CA 1.39 -3.429 1 CA-C-N 129.771 5.714 . . . . 1.0 112.774 166.434 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -66.23 -43.06 87.71 Favored 'General case' 0 N--CA 1.425 -1.677 0 N-CA-C 114.128 1.159 . . . . 1.0 114.128 173.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -90.37 -25.16 20.57 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 115.472 1.656 . . . . 1.0 115.472 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 99.4 t -105.78 -62.19 2.22 Favored 'Isoleucine or valine' 0 C--N 1.348 0.539 0 O-C-N 120.868 -1.145 . . . . 1.0 111.169 -173.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 7.5 m-90 -65.98 -42.19 90.17 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 124.194 0.998 . . . . 1.0 112.418 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 110.22 174.49 20.6 Favored Glycine 0 C--N 1.345 1.081 0 CA-C-O 122.889 1.271 . . . . 1.0 112.59 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.0 p -98.32 0.05 44.79 Favored 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 120.833 -1.392 . . . . 1.0 111.813 -168.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -94.51 7.71 44.68 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 125.64 1.576 . . . . 1.0 110.077 172.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.0 t -117.76 136.61 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-O 123.145 1.45 . . . . 1.0 109.662 -171.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -135.7 6.06 3.18 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.053 -1.43 . . . . 1.0 114.007 -155.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.6 m -47.92 168.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 129.021 2.929 . . . . 1.0 117.45 175.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -80.38 170.74 15.98 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.573 -1.33 . . . . 1.0 110.109 173.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -74.74 -19.89 60.05 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 119.592 -1.943 . . . . 1.0 111.464 -171.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.61 -6.31 57.6 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.197 -1.564 . . . . 1.0 114.52 -169.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.3 t -72.81 -18.97 61.41 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 119.85 -1.781 . . . . 1.0 111.36 164.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.3 t -64.66 -48.87 82.91 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 O-C-N 119.737 -1.852 . . . . 1.0 111.625 164.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -58.7 -44.39 90.3 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 120.977 -1.077 . . . . 1.0 112.933 177.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.19 -46.19 96.5 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 C-N-CA 124.728 1.211 . . . . 1.0 112.813 175.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -70.72 -29.41 65.68 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 119.23 -2.168 . . . . 1.0 112.928 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.8 mm -60.93 -42.91 94.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.703 0 O-C-N 120.224 -1.547 . . . . 1.0 112.062 170.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -60.34 -43.84 96.08 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 120.715 -1.241 . . . . 1.0 112.191 170.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 52.5 mtp85 -62.12 -37.84 86.66 Favored 'General case' 0 C--N 1.344 0.348 0 O-C-N 120.639 -1.288 . . . . 1.0 114.172 175.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 37.7 tp -65.6 -45.65 82.35 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 120.611 -1.306 . . . . 1.0 113.285 172.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -59.23 -43.17 92.36 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.042 -1.661 . . . . 1.0 114.101 170.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -59.9 -42.03 92.96 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.718 -1.239 . . . . 1.0 113.194 175.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.15 -38.86 92.59 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 114.971 1.471 . . . . 1.0 114.971 174.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.7 mt -93.29 -3.53 53.4 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 120.454 -1.404 . . . . 1.0 111.212 -174.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -62.47 -47.89 87.87 Favored Pre-proline 0 C--N 1.351 0.655 0 CA-C-O 116.69 -1.624 . . . . 1.0 114.885 174.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -77.87 -15.13 15.15 Favored 'Trans proline' 0 CA--C 1.515 -0.459 0 CA-C-N 124.681 2.708 . . . . 1.0 110.188 176.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -83.91 -0.99 89.88 Favored Glycine 0 C--N 1.345 1.067 0 C-N-CA 125.007 1.289 . . . . 1.0 113.888 172.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.79 25.17 71.71 Favored Glycine 0 C--N 1.352 1.418 0 N-CA-C 116.237 1.255 . . . . 1.0 116.237 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -134.54 9.29 3.67 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 121.191 -1.182 . . . . 1.0 114.073 -172.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -52.8 -33.76 50.39 Favored 'General case' 0 C--N 1.35 0.594 0 N-CA-C 115.325 1.602 . . . . 1.0 115.325 172.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.4 ptm85 -58.28 -28.16 64.71 Favored 'General case' 0 C--N 1.35 0.591 0 N-CA-C 116.128 1.899 . . . . 1.0 116.128 -177.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 44.8 mtm -71.64 -15.77 62.24 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.493 -1.38 . . . . 1.0 114.723 -174.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.2 t -84.71 108.36 16.7 Favored 'Isoleucine or valine' 0 C--N 1.35 0.596 0 O-C-N 120.986 -1.071 . . . . 1.0 109.272 173.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -104.32 156.72 17.68 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.682 1.193 . . . . 1.0 110.888 -176.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 85.5 m -119.27 132.54 55.92 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 122.4 1.095 . . . . 1.0 109.799 -174.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.0 t -113.61 105.1 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 N-CA-C 107.928 -1.138 . . . . 1.0 107.928 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 43.4 ttt85 -55.67 121.81 9.98 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 125.521 1.528 . . . . 1.0 113.504 -176.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.06 -0.47 79.03 Favored Glycine 0 C--N 1.349 1.266 0 C-N-CA 125.554 1.55 . . . . 1.0 114.577 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 26.2 m -126.54 -46.14 1.61 Allowed 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 118.61 1.205 . . . . 1.0 111.189 -174.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 155.91 -139.89 6.9 Favored Glycine 0 C--N 1.35 1.354 0 O-C-N 119.733 -1.854 . . . . 1.0 113.192 -176.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -134.56 162.83 31.17 Favored 'General case' 0 C--N 1.344 0.35 0 O-C-N 121.584 -0.951 . . . . 1.0 110.352 -172.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 21.8 ttt85 -143.02 149.29 38.08 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 125.395 1.478 . . . . 1.0 108.19 -174.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -120.66 135.36 55.14 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 120.473 -1.392 . . . . 1.0 108.884 176.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.5 t -145.4 125.69 13.88 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.633 -1.292 . . . . 1.0 111.352 -176.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.5 p . . . . . 0 C--N 1.349 0.57 0 C-N-CA 124.385 1.074 . . . . 1.0 113.78 177.039 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.9 m . . . . . 0 C--O 1.236 0.382 0 N-CA-C 115.603 1.705 . . . . 1.0 115.603 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 75.5 mt -117.04 121.33 67.53 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 N-CA-C 106.582 -1.636 . . . . 1.0 106.582 162.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -123.86 122.74 38.81 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 125.134 1.374 . . . . 1.0 111.094 -176.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 16.8 ptp -150.62 139.59 20.98 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 121.123 -0.986 . . . . 1.0 110.441 174.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 51.39 38.34 21.53 Favored 'General case' 0 C--N 1.348 0.522 0 C-N-CA 126.559 1.944 . . . . 1.0 116.061 176.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.04 3.59 90.65 Favored Glycine 0 C--N 1.349 1.261 0 O-C-N 120.602 -1.311 . . . . 1.0 114.914 -178.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.8 tp -114.27 128.27 56.28 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 124.722 1.209 . . . . 1.0 108.46 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.6 t -133.0 134.07 43.98 Favored 'General case' 0 CA--C 1.512 -0.492 0 O-C-N 120.736 -1.228 . . . . 1.0 110.702 -175.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 tt -127.76 133.99 49.5 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.434 1.494 . . . . 1.0 109.872 -173.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -116.54 113.25 40.69 Favored Pre-proline 0 C--N 1.348 0.529 0 O-C-N 121.201 -0.937 . . . . 1.0 109.033 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -61.68 -36.09 76.78 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 123.211 2.607 . . . . 1.0 113.728 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.2 m -66.29 -43.43 86.34 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 123.83 0.852 . . . . 1.0 112.856 -173.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.1 p -100.31 -2.6 33.23 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 121.059 -1.026 . . . . 1.0 112.917 -176.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 68.66 26.63 6.2 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 126.185 1.794 . . . . 1.0 113.961 175.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -121.08 134.76 55.27 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 121.689 -0.632 . . . . 1.0 112.13 -164.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.8 t -116.54 128.28 73.93 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 C-N-CA 125.332 1.453 . . . . 1.0 109.984 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 96.8 mmm -118.78 140.45 49.93 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.338 1.455 . . . . 1.0 110.651 -175.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.87 106.45 12.07 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 121.211 -0.931 . . . . 1.0 108.63 168.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.91 -121.44 25.07 Favored Glycine 0 C--N 1.348 1.211 0 O-C-N 119.602 -1.937 . . . . 1.0 112.701 -160.085 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -98.51 3.09 48.14 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 121.285 -1.126 . . . . 1.0 111.779 174.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -85.53 124.62 71.18 Favored Pre-proline 0 C--N 1.35 0.626 0 C-N-CA 124.987 1.315 . . . . 1.0 111.687 -177.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -93.44 122.44 0.45 Allowed 'Trans proline' 0 N--CA 1.458 -0.566 0 CA-C-N 121.802 1.679 . . . . 1.0 111.001 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.4 mt -92.64 165.19 13.1 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.691 0.796 . . . . 1.0 111.298 -175.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -131.1 133.86 46.04 Favored 'General case' 0 C--N 1.345 0.392 0 O-C-N 120.951 -1.093 . . . . 1.0 111.466 -176.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 22.6 ptp -154.16 174.07 15.24 Favored 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 121.134 -0.979 . . . . 1.0 109.895 176.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -86.98 169.1 39.87 Favored Glycine 0 C--N 1.353 1.493 0 O-C-N 120.844 -1.16 . . . . 1.0 111.993 175.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -69.94 -30.41 21.49 Favored 'Trans proline' 0 C--N 1.324 -0.724 0 C-N-CA 122.985 2.457 . . . . 1.0 112.411 -173.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.2 m -67.26 -42.45 83.87 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 119.196 0.907 . . . . 1.0 112.183 172.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.4 -42.56 98.92 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 120.913 -1.117 . . . . 1.0 111.716 172.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -60.44 -46.76 88.88 Favored 'General case' 0 C--N 1.351 0.647 0 C-N-CA 123.974 0.91 . . . . 1.0 113.32 175.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -64.29 -40.1 95.26 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 120.291 -1.505 . . . . 1.0 113.332 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.8 tp -63.48 -44.64 93.82 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 124.817 1.247 . . . . 1.0 112.972 171.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.4 tp -62.54 -40.16 95.89 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 120.876 -1.14 . . . . 1.0 112.643 175.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -58.17 -40.74 82.22 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 120.431 -1.418 . . . . 1.0 112.838 172.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -64.99 -43.05 93.84 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.783 -1.198 . . . . 1.0 113.262 172.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -62.89 -43.17 99.52 Favored 'General case' 0 C--N 1.347 0.491 0 O-C-N 120.43 -1.418 . . . . 1.0 114.584 173.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 62.5 mmm -61.55 -32.31 72.37 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 120.503 -1.373 . . . . 1.0 113.407 177.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.5 p -87.41 -3.47 59.02 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 120.247 -1.533 . . . . 1.0 113.067 173.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 65.2 m80 -140.44 64.87 25.42 Favored Pre-proline 0 C--N 1.354 0.772 0 O-C-N 120.221 -1.549 . . . . 1.0 114.332 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -75.75 156.88 39.77 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.965 2.443 . . . . 1.0 112.887 176.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.406 ' CD ' HH21 ' A' ' 99' ' ' ARG . 5.9 mm-40 62.34 39.55 12.12 Favored 'General case' 0 C--N 1.348 0.537 0 C-N-CA 126.586 1.955 . . . . 1.0 115.115 169.168 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -151.75 146.03 25.44 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.053 -1.091 . . . . 1.0 108.053 177.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.9 t -92.14 133.33 33.91 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 O-C-N 120.381 -1.45 . . . . 1.0 111.279 -172.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -123.8 127.77 48.57 Favored 'General case' 0 CA--C 1.507 -0.687 0 C-N-CA 125.082 1.353 . . . . 1.0 107.886 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 86.0 p -72.3 162.88 28.85 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 122.075 0.94 . . . . 1.0 111.01 171.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 74.8 mtt85 -60.14 -35.97 76.49 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 120.628 -1.295 . . . . 1.0 111.623 175.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -60.02 -43.57 95.16 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 114.354 1.242 . . . . 1.0 114.354 171.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -64.86 -43.75 91.99 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 119.986 -1.697 . . . . 1.0 111.822 175.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.01 -42.61 99.34 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.94 -1.1 . . . . 1.0 113.441 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.1 mt -61.73 -47.97 82.84 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 120.214 -1.554 . . . . 1.0 114.613 176.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -68.98 -40.91 78.52 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 120.693 -1.254 . . . . 1.0 113.79 177.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -67.82 -42.19 81.89 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 115.56 1.689 . . . . 1.0 115.56 174.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.3 t -99.86 -60.54 2.73 Favored 'Isoleucine or valine' 0 C--N 1.35 0.609 0 O-C-N 120.079 -1.638 . . . . 1.0 111.792 -170.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 8.4 m-90 -67.55 -43.04 81.67 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 121.012 -1.055 . . . . 1.0 112.147 -177.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 130.91 158.76 9.35 Favored Glycine 0 C--N 1.345 1.067 0 CA-C-O 122.928 1.293 . . . . 1.0 113.264 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 36.8 p -82.65 -20.17 36.8 Favored 'General case' 0 CA--C 1.515 -0.368 0 O-C-N 120.778 -1.424 . . . . 1.0 114.152 -172.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -115.46 15.19 16.76 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-O 122.532 1.158 . . . . 1.0 110.099 178.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.8 t -92.85 142.71 12.77 Favored 'Isoleucine or valine' 0 C--N 1.345 0.387 0 C-N-CA 124.895 1.278 . . . . 1.0 109.086 174.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -127.3 119.21 25.78 Favored 'General case' 0 C--N 1.342 0.273 0 O-C-N 120.726 -1.234 . . . . 1.0 111.907 -172.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.7 m -153.31 166.04 1.45 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.466 0 C-N-CA 126.007 1.723 . . . . 1.0 106.613 175.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -68.43 155.81 39.13 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 124.28 1.032 . . . . 1.0 112.171 173.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -57.84 -31.71 66.92 Favored 'General case' 0 C--N 1.346 0.44 0 C-N-CA 125.006 1.322 . . . . 1.0 111.785 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -89.48 5.96 43.05 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.656 1.182 . . . . 1.0 113.472 -174.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.4 m -74.85 -21.22 59.39 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 119.676 -1.89 . . . . 1.0 110.648 165.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.4 t -64.31 -47.27 90.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 O-C-N 120.194 -1.566 . . . . 1.0 112.189 167.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.2 -43.82 87.8 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 125.981 1.712 . . . . 1.0 113.256 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.81 -42.63 96.52 Favored 'Isoleucine or valine' 0 C--N 1.349 0.548 0 C-N-CA 124.59 1.156 . . . . 1.0 112.447 173.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -69.62 -31.81 70.15 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 119.249 -2.157 . . . . 1.0 113.922 174.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.1 mm -61.8 -42.76 95.72 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 O-C-N 120.676 -1.265 . . . . 1.0 111.928 169.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -60.08 -45.94 91.21 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 121.007 -1.058 . . . . 1.0 112.515 171.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -62.12 -41.56 98.35 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 120.784 -1.197 . . . . 1.0 113.401 174.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.2 tp -62.88 -44.15 96.87 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 120.371 -1.456 . . . . 1.0 113.831 174.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -61.37 -44.19 97.58 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 119.971 -1.706 . . . . 1.0 113.314 171.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -60.76 -40.85 94.01 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 120.942 -1.099 . . . . 1.0 113.176 175.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.92 94.08 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 114.91 1.448 . . . . 1.0 114.91 174.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.0 mt -96.74 -6.35 36.49 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 120.644 -1.285 . . . . 1.0 112.349 -172.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -63.81 -43.66 77.01 Favored Pre-proline 0 C--N 1.351 0.652 0 N-CA-C 114.922 1.453 . . . . 1.0 114.922 174.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -60.19 -26.22 82.0 Favored 'Trans proline' 0 CA--C 1.516 -0.416 0 CA-C-N 124.158 2.521 . . . . 1.0 114.212 170.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -90.78 -0.24 75.54 Favored Glycine 0 C--N 1.348 1.204 0 C-N-CA 124.592 1.091 . . . . 1.0 113.971 174.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.95 28.27 73.73 Favored Glycine 0 C--N 1.347 1.163 0 N-CA-C 117.235 1.654 . . . . 1.0 117.235 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -130.31 17.41 5.46 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 121.242 -1.152 . . . . 1.0 113.621 -176.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -55.12 -40.45 70.52 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 126.78 2.032 . . . . 1.0 114.51 169.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -71.74 -14.74 62.1 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 126.979 2.112 . . . . 1.0 114.388 -170.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 79.4 mtp -62.05 -34.93 77.17 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 120.508 -1.37 . . . . 1.0 112.694 169.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.7 t -74.77 105.65 3.97 Favored 'Isoleucine or valine' 0 C--N 1.351 0.671 0 C-N-CA 124.049 0.94 . . . . 1.0 110.56 174.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -113.7 156.01 24.53 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 126.142 1.777 . . . . 1.0 110.791 -171.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 53.4 m -118.56 132.64 56.2 Favored 'General case' 0 CA--C 1.51 -0.576 0 O-C-N 121.233 -0.917 . . . . 1.0 111.159 -169.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 92.6 t -117.22 112.76 40.41 Favored 'Isoleucine or valine' 0 C--N 1.348 0.519 0 C-N-CA 125.055 1.342 . . . . 1.0 108.55 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.6 ttt85 -60.4 121.06 11.12 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 120.642 -1.286 . . . . 1.0 113.44 -175.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.65 -3.47 78.71 Favored Glycine 0 C--N 1.347 1.166 0 C-N-CA 125.199 1.381 . . . . 1.0 114.653 172.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 53.2 m -126.42 -33.78 2.54 Favored 'General case' 0 CA--C 1.515 -0.382 0 O-C-N 121.029 -1.277 . . . . 1.0 110.521 -178.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 147.84 -137.28 6.44 Favored Glycine 0 C--N 1.355 1.614 0 O-C-N 119.632 -1.917 . . . . 1.0 114.553 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -133.7 162.49 31.81 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 121.702 -0.881 . . . . 1.0 110.264 -172.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.406 HH21 ' CD ' ' A' ' 46' ' ' GLU . 57.5 ttt180 -143.41 142.94 31.42 Favored 'General case' 0 C--N 1.347 0.472 0 C-N-CA 124.953 1.301 . . . . 1.0 107.645 -174.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -113.29 124.82 53.39 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 107.098 -1.445 . . . . 1.0 107.098 176.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.7 t -126.38 132.68 51.49 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 120.613 -1.304 . . . . 1.0 113.324 -165.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.344 0.367 0 C-N-CA 126.557 1.943 . . . . 1.0 112.06 -175.562 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 N--CA 1.466 0.345 0 N-CA-C 117.802 2.519 . . . . 1.0 117.802 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.1 mt -107.35 118.21 54.64 Favored 'Isoleucine or valine' 0 C--N 1.345 0.38 0 N-CA-C 106.873 -1.529 . . . . 1.0 106.873 176.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -123.24 113.52 19.03 Favored 'General case' 0 C--N 1.345 0.404 0 O-C-N 121.301 -0.875 . . . . 1.0 109.423 -175.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 19.4 ptt? -158.67 148.05 19.12 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 121.169 -0.957 . . . . 1.0 110.997 174.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 57.28 35.8 26.54 Favored 'General case' 0 C--N 1.347 0.457 0 C-N-CA 126.915 2.086 . . . . 1.0 114.628 -178.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.72 6.17 88.4 Favored Glycine 0 C--N 1.349 1.268 0 O-C-N 120.556 -1.34 . . . . 1.0 114.375 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.0 tp -120.34 129.9 54.19 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 125.082 1.353 . . . . 1.0 109.025 -175.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 93.9 p -124.18 130.67 52.94 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 120.785 -1.197 . . . . 1.0 111.913 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 tt -126.78 125.62 42.02 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 120.853 -1.154 . . . . 1.0 109.885 -176.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -108.79 109.06 61.18 Favored Pre-proline 0 C--O 1.237 0.439 0 C-N-CA 124.699 1.2 . . . . 1.0 109.434 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -67.47 -25.83 41.17 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.78 2.32 . . . . 1.0 113.968 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.9 m -63.38 -45.81 89.39 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 124.23 1.012 . . . . 1.0 112.645 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.2 p -107.45 -4.6 18.32 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 120.872 -1.143 . . . . 1.0 114.004 -178.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.3 m170 64.04 44.67 4.51 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 125.731 1.612 . . . . 1.0 113.523 -172.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -111.41 130.02 55.83 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 120.932 -1.105 . . . . 1.0 111.012 -175.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.8 t -119.51 131.93 70.73 Favored 'Isoleucine or valine' 0 C--N 1.349 0.576 0 N-CA-C 108.445 -0.946 . . . . 1.0 108.445 176.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 70.8 mtp -130.77 150.38 51.98 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 120.642 -1.286 . . . . 1.0 110.693 175.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.24 108.87 17.86 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 105.969 -1.863 . . . . 1.0 105.969 168.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 55.95 -116.74 7.66 Favored Glycine 0 C--N 1.348 1.244 0 O-C-N 120.703 -1.248 . . . . 1.0 113.69 -164.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -105.38 19.43 20.6 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 123.864 0.866 . . . . 1.0 112.292 174.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -109.24 117.59 52.93 Favored Pre-proline 0 C--N 1.351 0.64 0 O-C-N 120.528 -1.358 . . . . 1.0 110.607 177.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.7 144.85 22.49 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.991 2.46 . . . . 1.0 112.963 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.2 mp -96.49 159.93 14.68 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 124.639 1.176 . . . . 1.0 111.414 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -123.96 119.48 29.69 Favored 'General case' 0 C--N 1.346 0.413 0 C-N-CA 125.425 1.49 . . . . 1.0 108.633 177.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.0 ptp -155.79 159.19 39.22 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 120.415 -1.428 . . . . 1.0 112.146 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.82 158.01 47.73 Favored Glycine 0 C--N 1.35 1.352 0 O-C-N 120.883 -1.136 . . . . 1.0 114.78 175.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -68.63 -30.73 27.79 Favored 'Trans proline' 0 C--N 1.323 -0.785 0 C-N-CA 123.318 2.679 . . . . 1.0 112.88 -177.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.1 m -67.29 -38.26 84.74 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-O 122.016 0.913 . . . . 1.0 110.954 173.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -41.9 95.2 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 125.125 1.37 . . . . 1.0 111.653 174.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -59.69 -46.35 89.35 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 121.104 -0.998 . . . . 1.0 112.699 173.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -62.45 -40.84 97.92 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 120.911 -1.118 . . . . 1.0 113.221 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.6 tp -65.17 -44.54 88.18 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 114.199 1.185 . . . . 1.0 114.199 170.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.4 tp -62.7 -41.55 99.18 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.364 -1.46 . . . . 1.0 113.049 177.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -59.34 -41.39 89.06 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 121.036 -1.04 . . . . 1.0 112.427 172.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -63.35 -45.9 89.08 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 121.131 -0.981 . . . . 1.0 113.082 175.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -63.89 -44.86 91.74 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 114.551 1.315 . . . . 1.0 114.551 175.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 92.6 mtp -64.67 -34.87 79.32 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.28 -1.513 . . . . 1.0 113.895 177.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.8 p -75.37 -16.73 60.35 Favored 'General case' 0 C--N 1.345 0.395 0 O-C-N 120.494 -1.379 . . . . 1.0 112.941 172.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -134.29 67.65 72.8 Favored Pre-proline 0 C--N 1.353 0.728 0 O-C-N 120.69 -1.256 . . . . 1.0 114.217 -178.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -79.05 160.47 26.86 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 123.276 2.651 . . . . 1.0 112.133 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 61.22 42.57 11.94 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 127.652 2.381 . . . . 1.0 113.203 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -148.88 134.3 18.52 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 120.886 -1.134 . . . . 1.0 110.233 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 20.0 t -85.95 130.38 36.56 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 O-C-N 120.634 -1.291 . . . . 1.0 110.554 176.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -121.37 127.02 50.81 Favored 'General case' 0 CA--C 1.502 -0.887 0 C-N-CA 125.631 1.572 . . . . 1.0 107.584 176.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.5 p -75.08 164.43 26.53 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 121.928 0.871 . . . . 1.0 111.739 172.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.6 mtt85 -60.74 -34.69 74.8 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 120.45 -1.406 . . . . 1.0 111.906 177.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -57.89 -45.0 87.05 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 114.147 1.165 . . . . 1.0 114.147 169.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -65.97 -42.59 89.69 Favored 'General case' 0 C--N 1.359 0.991 0 O-C-N 120.108 -1.62 . . . . 1.0 112.881 174.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.88 -39.99 93.83 Favored 'General case' 0 C--N 1.347 0.491 0 O-C-N 121.02 -1.05 . . . . 1.0 112.918 176.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.8 mt -59.53 -41.06 89.16 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.702 -1.249 . . . . 1.0 114.11 172.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -67.05 -48.34 68.57 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 120.081 -1.637 . . . . 1.0 113.106 170.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -68.35 -44.34 75.48 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 115.914 1.82 . . . . 1.0 115.914 -176.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.6 t -102.49 -36.37 4.39 Favored 'Isoleucine or valine' 0 C--N 1.347 0.473 0 O-C-N 121.142 -0.974 . . . . 1.0 111.703 -170.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 20.8 m-90 -98.22 -11.23 22.91 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 119.984 -1.698 . . . . 1.0 111.496 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.7 1.55 73.77 Favored Glycine 0 C--N 1.342 0.893 0 O-C-N 120.223 -1.548 . . . . 1.0 115.898 165.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . 0.346 0.5 OUTLIER 63.3 -24.73 0.06 Allowed 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 128.331 2.652 . . . . 1.0 117.018 -178.168 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -66.44 -42.27 87.9 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 119.26 -2.15 . . . . 1.0 111.262 168.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.4 t -61.14 136.43 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 C-N-CA 124.92 1.288 . . . . 1.0 111.782 171.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -118.45 120.26 37.03 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 123.156 1.455 . . . . 1.0 111.223 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.5 m -151.0 154.23 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 C-N-CA 126.343 1.857 . . . . 1.0 108.057 -177.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -62.67 151.19 38.9 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 124.935 1.294 . . . . 1.0 111.826 170.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -65.64 -17.55 64.68 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 120.321 -1.487 . . . . 1.0 113.505 -171.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -95.17 6.82 47.99 Favored 'General case' 0 N--CA 1.443 -0.79 0 O-C-N 120.674 -1.266 . . . . 1.0 114.031 -175.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 t -75.59 -18.75 59.63 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 119.312 -2.118 . . . . 1.0 111.008 162.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.6 t -62.27 -48.4 88.57 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 0 O-C-N 120.021 -1.675 . . . . 1.0 111.838 169.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.12 -44.07 87.53 Favored 'General case' 0 C--N 1.35 0.616 0 C-N-CA 126.018 1.727 . . . . 1.0 113.306 177.251 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 52.9 t -63.94 -44.39 97.95 Favored 'Isoleucine or valine' 0 C--N 1.346 0.424 0 C-N-CA 125.589 1.556 . . . . 1.0 112.42 175.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -66.91 -36.76 83.0 Favored 'General case' 0 C--N 1.344 0.356 0 O-C-N 119.868 -1.77 . . . . 1.0 113.683 175.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.6 mm -59.29 -41.45 84.14 Favored 'Isoleucine or valine' 0 C--N 1.348 0.523 0 O-C-N 120.621 -1.3 . . . . 1.0 112.071 170.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -43.62 95.89 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 120.258 -1.526 . . . . 1.0 113.279 172.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.8 -38.71 92.1 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 124.965 1.306 . . . . 1.0 113.47 175.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.5 tp -61.93 -42.74 99.45 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 124.844 1.258 . . . . 1.0 113.361 173.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -57.25 -45.74 83.69 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 120.311 -1.493 . . . . 1.0 114.156 170.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -61.66 -39.1 90.17 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.578 -1.326 . . . . 1.0 113.454 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.28 -38.82 88.14 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 114.52 1.304 . . . . 1.0 114.52 173.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 77.1 mt -94.97 -4.52 46.54 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 120.884 -1.135 . . . . 1.0 112.792 -174.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -63.16 -41.78 71.75 Favored Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 116.663 2.097 . . . . 1.0 116.663 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -56.79 -40.15 86.3 Favored 'Trans proline' 0 C--N 1.343 0.24 0 CA-C-N 124.907 2.788 . . . . 1.0 115.096 175.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -83.18 -2.6 90.46 Favored Glycine 0 C--N 1.348 1.204 0 N-CA-C 114.684 0.633 . . . . 1.0 114.684 174.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.17 10.2 86.31 Favored Glycine 0 C--N 1.35 1.311 0 O-C-N 120.838 -1.389 . . . . 1.0 115.229 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -96.58 0.19 49.65 Favored 'General case' 0 C--N 1.344 0.327 0 O-C-N 120.493 -1.592 . . . . 1.0 113.49 -170.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -57.72 -34.4 69.43 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 127.054 2.142 . . . . 1.0 115.048 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -88.86 4.49 47.63 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 124.912 1.285 . . . . 1.0 113.148 -166.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 52.8 mtm -89.32 -3.68 58.39 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 121.138 -0.976 . . . . 1.0 111.967 172.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.4 t -83.32 120.43 34.53 Favored 'Isoleucine or valine' 0 C--N 1.35 0.601 0 N-CA-C 108.132 -1.062 . . . . 1.0 108.132 168.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -108.78 148.16 30.96 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 124.651 1.18 . . . . 1.0 109.452 -174.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 49.7 m -119.53 123.96 45.26 Favored 'General case' 0 CA--C 1.498 -1.037 0 O-C-N 121.302 -0.874 . . . . 1.0 110.791 -173.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.7 t -108.47 108.46 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 C-N-CA 123.93 0.892 . . . . 1.0 108.85 -175.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 48.0 ttm-85 -64.34 120.1 11.57 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-O 122.312 1.053 . . . . 1.0 113.406 -172.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 84.67 2.88 88.59 Favored Glycine 0 CA--C 1.497 -1.051 0 O-C-N 120.801 -1.187 . . . . 1.0 113.795 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.0 m -127.21 -57.3 1.31 Allowed 'General case' 0 CA--C 1.505 -0.775 0 O-C-N 121.563 -0.963 . . . . 1.0 109.599 -176.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 159.36 -137.51 5.17 Favored Glycine 0 C--N 1.349 1.279 0 O-C-N 120.531 -1.356 . . . . 1.0 112.559 -173.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -136.27 161.95 34.33 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.615 0.722 . . . . 1.0 110.432 -170.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 47.3 ttt-85 -150.88 151.66 32.54 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 107.68 -1.23 . . . . 1.0 107.68 -169.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -127.67 147.39 50.38 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.058 -1.651 . . . . 1.0 108.83 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.7 t -149.52 147.42 28.17 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 119.971 -1.706 . . . . 1.0 112.363 178.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.8 p . . . . . 0 C--N 1.345 0.404 0 C-N-CA 125.126 1.371 . . . . 1.0 111.373 179.039 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 32.7 m . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 105.786 -1.931 . . . . 1.0 105.786 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.2 mt -104.05 110.61 30.81 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.454 0 O-C-N 120.015 -1.678 . . . . 1.0 107.972 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -116.27 125.15 51.79 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 121.639 0.733 . . . . 1.0 111.823 -176.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 13.2 ptp -157.83 145.69 18.68 Favored 'General case' 0 C--N 1.347 0.465 0 C-N-CA 124.051 0.94 . . . . 1.0 109.27 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 tm0? 59.51 28.08 17.39 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 120.207 -1.558 . . . . 1.0 114.631 171.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.16 6.12 87.49 Favored Glycine 0 C--N 1.352 1.456 0 O-C-N 119.28 -2.137 . . . . 1.0 114.933 -174.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.5 tp -117.54 137.08 52.81 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.789 1.636 . . . . 1.0 108.522 -176.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.4 t -137.07 131.86 33.35 Favored 'General case' 0 C--N 1.347 0.463 0 O-C-N 120.358 -1.464 . . . . 1.0 111.328 -178.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 tt -124.71 131.22 53.48 Favored 'General case' 0 C--N 1.345 0.39 0 C-N-CA 124.561 1.144 . . . . 1.0 110.401 -174.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -108.95 112.6 60.02 Favored Pre-proline 0 C--O 1.237 0.438 0 O-C-N 120.664 -1.273 . . . . 1.0 107.705 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -67.01 -32.54 34.67 Favored 'Trans proline' 0 CA--C 1.513 -0.533 0 C-N-CA 122.691 2.26 . . . . 1.0 113.618 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 64.6 m -68.47 -41.81 79.61 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.887 1.275 . . . . 1.0 111.311 -176.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.5 m -96.54 -4.33 41.53 Favored 'General case' 0 CA--C 1.508 -0.663 0 O-C-N 121.68 -0.637 . . . . 1.0 112.175 -176.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.9 m170 61.21 31.47 19.52 Favored 'General case' 0 C--N 1.35 0.593 0 C-N-CA 125.388 1.475 . . . . 1.0 113.499 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -122.11 135.92 54.85 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 120.96 -1.088 . . . . 1.0 112.88 -165.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 44.3 t -117.24 128.05 74.65 Favored 'Isoleucine or valine' 0 C--N 1.348 0.518 0 C-N-CA 124.263 1.025 . . . . 1.0 109.458 -178.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 89.7 mmm -114.68 135.15 54.47 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 125.891 1.677 . . . . 1.0 108.59 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.12 112.47 19.57 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 107.522 -1.288 . . . . 1.0 107.522 173.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.7 -111.11 3.22 Favored Glycine 0 C--N 1.347 1.178 0 O-C-N 120.585 -1.322 . . . . 1.0 113.32 -167.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -106.84 9.09 31.01 Favored 'General case' 0 C--N 1.347 0.457 0 C-N-CA 123.855 0.862 . . . . 1.0 112.528 175.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -114.06 128.42 25.8 Favored Pre-proline 0 C--N 1.351 0.655 0 O-C-N 120.756 -1.215 . . . . 1.0 112.105 -169.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -75.07 139.42 24.09 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 CA-C-N 123.156 2.163 . . . . 1.0 111.649 170.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.4 mt -121.27 155.55 34.42 Favored 'General case' 0 C--N 1.346 0.44 0 CA-C-O 121.84 0.829 . . . . 1.0 109.655 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -116.77 144.15 44.82 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 122.4 1.095 . . . . 1.0 112.875 -171.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -158.26 164.23 36.65 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.095 1.358 . . . . 1.0 107.588 174.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.36 174.47 54.43 Favored Glycine 0 C--N 1.35 1.323 0 O-C-N 121.147 -0.97 . . . . 1.0 113.621 174.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -73.7 -33.02 6.97 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 121.933 1.755 . . . . 1.0 112.907 -168.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 77.4 m -61.32 -42.32 98.48 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 120.388 1.449 . . . . 1.0 111.988 172.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -63.71 -42.04 98.0 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 120.809 -1.182 . . . . 1.0 112.435 172.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -61.27 -45.91 92.54 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.964 -1.085 . . . . 1.0 113.551 175.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -62.29 -42.1 99.06 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 120.213 -1.554 . . . . 1.0 112.946 176.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.2 tp -63.3 -43.11 98.8 Favored 'General case' 0 C--N 1.347 0.497 0 O-C-N 121.226 -0.921 . . . . 1.0 112.811 174.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.8 tp -63.34 -41.63 98.89 Favored 'General case' 0 C--N 1.346 0.453 0 O-C-N 120.785 -1.197 . . . . 1.0 113.685 174.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -59.78 -41.83 92.01 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 120.418 -1.426 . . . . 1.0 112.604 172.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -62.51 -45.95 90.65 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.964 -1.085 . . . . 1.0 112.682 173.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -63.27 -43.31 98.32 Favored 'General case' 0 C--N 1.347 0.471 0 N-CA-C 114.945 1.461 . . . . 1.0 114.945 174.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 95.0 mtp -74.76 -16.11 60.74 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 119.536 -1.978 . . . . 1.0 113.428 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.1 p -94.46 -0.22 54.89 Favored 'General case' 0 C--N 1.346 0.426 0 O-C-N 120.658 -1.276 . . . . 1.0 110.674 170.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -144.67 64.42 11.65 Favored Pre-proline 0 C--N 1.35 0.604 0 O-C-N 120.317 -1.489 . . . . 1.0 114.424 175.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.37 154.96 56.06 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.794 2.329 . . . . 1.0 113.228 173.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 62.72 39.71 10.78 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 127.926 2.49 . . . . 1.0 114.726 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -147.33 131.63 17.5 Favored 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 120.669 -1.269 . . . . 1.0 110.119 177.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.5 t -77.48 133.56 30.38 Favored 'Isoleucine or valine' 0 C--N 1.348 0.538 0 O-C-N 120.926 -1.109 . . . . 1.0 111.974 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -125.41 128.13 47.63 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 107.847 -1.168 . . . . 1.0 107.847 173.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 92.3 p -69.97 164.75 23.22 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 122.371 1.081 . . . . 1.0 112.595 170.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 73.2 mtt85 -59.84 -36.86 77.72 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 120.755 -1.216 . . . . 1.0 112.594 176.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -58.81 -44.58 90.85 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.929 -1.107 . . . . 1.0 113.904 169.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -67.66 -41.73 83.32 Favored 'General case' 0 C--N 1.359 1.005 0 O-C-N 120.444 -1.41 . . . . 1.0 112.452 177.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 97.0 mt -61.14 -41.84 97.46 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 120.858 -1.151 . . . . 1.0 113.055 174.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.4 mt -60.61 -47.01 88.12 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.735 -1.228 . . . . 1.0 113.456 171.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -65.7 -44.62 85.6 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 121.048 -1.032 . . . . 1.0 113.01 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -67.76 -44.28 77.88 Favored 'General case' 0 C--N 1.349 0.578 0 N-CA-C 114.907 1.447 . . . . 1.0 114.907 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 81.4 t -99.07 -63.0 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.682 0 O-C-N 120.548 -1.345 . . . . 1.0 111.766 -168.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 13.5 m-90 -67.39 -41.54 84.83 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 124.622 1.169 . . . . 1.0 112.74 -178.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.25 -169.43 13.64 Favored Glycine 0 C--N 1.348 1.235 0 CA-C-O 122.655 1.142 . . . . 1.0 114.21 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.8 p -102.65 -22.65 13.93 Favored 'General case' 0 C--N 1.344 0.351 0 O-C-N 121.122 -1.222 . . . . 1.0 111.794 -172.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -103.74 27.41 7.53 Favored 'General case' 0 C--N 1.346 0.426 0 O-C-N 120.128 -1.608 . . . . 1.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.2 t -116.46 137.37 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 C-N-CA 125.21 1.404 . . . . 1.0 108.129 177.077 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -124.26 9.17 8.55 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 122.891 1.329 . . . . 1.0 114.401 -152.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.2 m -57.82 148.83 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 127.388 2.275 . . . . 1.0 115.217 177.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -55.91 162.7 1.73 Allowed 'General case' 0 C--N 1.348 0.507 0 C-N-CA 126.186 1.794 . . . . 1.0 113.503 166.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -61.89 -32.12 72.47 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 119.936 -1.727 . . . . 1.0 112.525 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -95.03 8.56 42.53 Favored 'General case' 0 N--CA 1.443 -0.822 0 O-C-N 120.668 -1.27 . . . . 1.0 113.797 -160.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.9 t -75.77 -21.87 56.99 Favored 'General case' 0 C--N 1.352 0.684 0 O-C-N 120.204 -1.56 . . . . 1.0 111.203 159.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 38.8 t -63.31 -48.04 89.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 O-C-N 119.799 -1.813 . . . . 1.0 111.512 171.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.11 -43.16 91.89 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 126.094 1.758 . . . . 1.0 113.295 177.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 77.6 t -63.82 -44.64 98.23 Favored 'Isoleucine or valine' 0 C--N 1.349 0.55 0 C-N-CA 124.283 1.033 . . . . 1.0 112.29 173.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -65.98 -32.62 74.21 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 120.044 -1.66 . . . . 1.0 113.601 175.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.5 mm -62.16 -41.83 92.82 Favored 'Isoleucine or valine' 0 C--N 1.345 0.383 0 O-C-N 120.715 -1.241 . . . . 1.0 112.392 169.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -37.65 85.05 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 120.312 -1.492 . . . . 1.0 112.022 172.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . 0.285 95.8 mtt180 -67.46 -33.14 74.51 Favored 'General case' 0 CA--C 1.563 1.48 0 CA-C-N 119.77 1.168 . . . . 1.0 112.51 174.267 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . 0.265 38.9 tp -73.09 -33.54 65.67 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-N 119.849 1.204 . . . . 1.0 113.607 174.405 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -65.2 -40.35 94.07 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 119.715 1.143 . . . . 1.0 113.95 167.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -60.9 -42.83 98.8 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 120.771 -1.206 . . . . 1.0 112.57 174.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.19 -39.08 93.63 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 115.528 1.677 . . . . 1.0 115.528 174.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.1 mt -99.33 5.27 46.54 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 121.232 -0.918 . . . . 1.0 111.992 -174.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -57.29 -43.42 99.13 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-O 115.988 -1.958 . . . . 1.0 115.668 172.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -54.11 125.31 18.38 Favored 'Trans proline' 0 C--N 1.346 0.433 0 CA-C-N 124.846 2.767 . . . . 1.0 114.472 168.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.04 0.95 84.34 Favored Glycine 0 C--N 1.343 0.935 0 N-CA-C 115.442 0.937 . . . . 1.0 115.442 -176.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 73.49 39.64 49.64 Favored Glycine 0 C--N 1.349 1.301 0 O-C-N 120.767 -1.431 . . . . 1.0 116.371 173.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -102.87 -5.99 22.98 Favored 'General case' 0 C--N 1.348 0.543 0 O-C-N 121.003 -1.293 . . . . 1.0 112.505 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -53.21 -36.33 60.88 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 126.103 1.761 . . . . 1.0 114.731 170.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -67.72 -15.64 63.74 Favored 'General case' 0 C--N 1.345 0.374 0 N-CA-C 115.737 1.755 . . . . 1.0 115.737 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 84.1 mtp -61.63 -35.63 78.47 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 120.598 -1.314 . . . . 1.0 112.913 173.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.9 t -72.97 106.89 3.24 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 C-N-CA 124.406 1.082 . . . . 1.0 111.39 174.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -102.2 152.88 20.51 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.868 1.667 . . . . 1.0 110.763 -177.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.3 m -116.78 132.6 56.65 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-O 122.13 0.967 . . . . 1.0 110.068 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.9 t -114.38 105.2 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 C-N-CA 124.316 1.046 . . . . 1.0 108.382 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 66.6 ttt-85 -55.02 114.48 1.77 Allowed 'General case' 0 C--N 1.353 0.746 0 C-N-CA 125.634 1.574 . . . . 1.0 114.47 -174.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.25 -1.64 87.54 Favored Glycine 0 C--N 1.347 1.189 0 C-N-CA 124.49 1.043 . . . . 1.0 114.154 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 56.9 m -122.9 -44.83 2.18 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 118.684 1.242 . . . . 1.0 110.984 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 152.77 -136.07 5.2 Favored Glycine 0 C--N 1.35 1.324 0 O-C-N 119.531 -1.98 . . . . 1.0 113.797 -175.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -137.84 162.93 32.68 Favored 'General case' 0 C--N 1.344 0.355 0 O-C-N 121.435 -1.038 . . . . 1.0 111.167 -171.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -147.89 155.57 41.75 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 124.349 1.06 . . . . 1.0 108.772 -176.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -121.51 141.65 50.83 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 120.337 -1.477 . . . . 1.0 108.828 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.0 t -142.32 139.97 32.0 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.183 -1.573 . . . . 1.0 113.459 -174.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.0 p . . . . . 0 C--N 1.347 0.486 0 C-N-CA 126.325 1.85 . . . . 1.0 112.077 -176.36 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.7 t . . . . . 0 N--CA 1.46 0.037 0 CA-C-O 120.553 0.216 . . . . 1.0 111.365 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.6 mt -113.79 125.91 71.16 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 O-C-N 120.305 -1.497 . . . . 1.0 108.237 177.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -118.28 119.75 35.59 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 124.491 1.116 . . . . 1.0 110.688 176.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.1 ptp -150.56 142.82 24.2 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.59 -1.319 . . . . 1.0 110.344 169.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 51.82 35.62 15.93 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 116.266 1.95 . . . . 1.0 116.266 174.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.58 6.14 89.5 Favored Glycine 0 C--N 1.349 1.302 0 O-C-N 120.052 -1.655 . . . . 1.0 115.296 -177.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.6 tp -116.62 130.92 57.02 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 124.518 1.127 . . . . 1.0 109.002 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 90.3 p -128.73 135.57 49.39 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 120.988 -1.07 . . . . 1.0 112.533 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.6 tt -129.03 124.91 36.13 Favored 'General case' 0 C--N 1.344 0.345 0 O-C-N 120.82 -1.175 . . . . 1.0 109.602 -177.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -114.74 109.01 48.16 Favored Pre-proline 0 C--O 1.239 0.527 0 C-N-CA 125.815 1.646 . . . . 1.0 108.146 -177.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -63.08 -30.43 75.64 Favored 'Trans proline' 0 CA--C 1.51 -0.717 0 C-N-CA 123.029 2.486 . . . . 1.0 114.414 176.135 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.8 m -60.12 -44.46 94.88 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 119.632 1.105 . . . . 1.0 113.322 -173.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.3 m -104.63 -1.52 26.29 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 121.081 -1.012 . . . . 1.0 112.311 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 71.66 39.82 0.84 Allowed 'General case' 0 CA--C 1.509 -0.615 0 C-N-CA 125.952 1.701 . . . . 1.0 110.333 174.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.8 ptt180 -123.09 136.67 54.9 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-O 122.471 1.129 . . . . 1.0 112.599 -166.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.0 t -113.87 135.55 53.16 Favored 'Isoleucine or valine' 0 C--N 1.346 0.433 0 N-CA-C 107.433 -1.321 . . . . 1.0 107.433 177.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 92.6 mtp -136.04 157.94 45.6 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 120.816 -1.177 . . . . 1.0 109.227 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.66 110.55 16.11 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 121.116 -0.99 . . . . 1.0 109.129 170.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.64 -108.4 1.96 Allowed Glycine 0 C--N 1.348 1.204 0 O-C-N 119.827 -1.796 . . . . 1.0 113.332 -168.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -113.32 14.65 19.29 Favored 'General case' 0 C--N 1.346 0.419 0 C-N-CA 123.692 0.797 . . . . 1.0 112.46 169.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -103.35 112.25 65.58 Favored Pre-proline 0 C--N 1.35 0.596 0 O-C-N 119.957 -1.714 . . . . 1.0 111.369 178.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -51.2 146.97 21.85 Favored 'Trans proline' 0 C--N 1.328 -0.547 0 C-N-CA 123.904 3.069 . . . . 1.0 118.383 167.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.6 mt -128.13 162.09 27.72 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.981 1.713 . . . . 1.0 108.515 172.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -131.02 139.74 50.01 Favored 'General case' 0 C--N 1.348 0.515 0 C-N-CA 124.493 1.117 . . . . 1.0 111.487 -171.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.0 ptp -162.55 161.61 26.92 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 120.783 -1.198 . . . . 1.0 111.531 175.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.98 170.12 52.18 Favored Glycine 0 C--N 1.349 1.269 0 O-C-N 119.501 -2.0 . . . . 1.0 114.086 170.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -70.62 -31.6 16.4 Favored 'Trans proline' 0 C--N 1.321 -0.887 0 C-N-CA 123.544 2.83 . . . . 1.0 112.326 -174.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.3 m -64.3 -40.05 95.17 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 119.825 1.193 . . . . 1.0 111.509 175.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.38 -42.41 92.73 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 125.352 1.461 . . . . 1.0 111.824 172.083 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -61.37 -45.89 92.48 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 120.883 -1.135 . . . . 1.0 113.445 176.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -61.65 -41.93 98.2 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 120.671 -1.268 . . . . 1.0 112.97 175.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.9 tp -62.95 -46.02 89.69 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 123.868 0.867 . . . . 1.0 112.85 173.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.4 tp -64.04 -40.63 96.73 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 120.724 -1.235 . . . . 1.0 113.534 177.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -60.91 -41.21 95.68 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.263 -1.523 . . . . 1.0 113.057 172.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -63.67 -44.21 94.43 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 120.614 -1.304 . . . . 1.0 112.487 173.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -62.38 -44.88 95.42 Favored 'General case' 0 C--N 1.344 0.35 0 N-CA-C 114.675 1.361 . . . . 1.0 114.675 173.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 90.2 mtp -75.05 -16.31 60.59 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 119.44 -2.037 . . . . 1.0 113.241 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.0 p -90.33 -5.36 56.32 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 120.401 -1.437 . . . . 1.0 111.121 170.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -142.81 67.52 18.39 Favored Pre-proline 0 C--N 1.354 0.763 0 N-CA-C 114.522 1.305 . . . . 1.0 114.522 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -76.63 143.96 24.61 Favored 'Trans proline' 0 C--N 1.331 -0.36 0 C-N-CA 123.008 2.472 . . . . 1.0 112.582 176.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 62.33 43.81 7.94 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 128.922 2.889 . . . . 1.0 113.887 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -134.28 118.69 17.83 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 107.308 -1.367 . . . . 1.0 107.308 177.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 19.5 t -68.26 132.34 32.83 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 O-C-N 119.565 -1.959 . . . . 1.0 112.202 177.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -125.86 127.06 45.47 Favored 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 107.051 -1.463 . . . . 1.0 107.051 174.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 93.8 p -59.59 157.69 11.23 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 124.691 1.197 . . . . 1.0 113.143 167.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 86.0 mtt85 -58.73 -35.73 73.17 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.242 -1.536 . . . . 1.0 112.392 172.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.41 -43.82 92.94 Favored 'General case' 0 C--N 1.352 0.694 0 N-CA-C 114.388 1.255 . . . . 1.0 114.388 168.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -64.2 -43.47 94.94 Favored 'General case' 0 C--N 1.36 1.054 0 O-C-N 119.601 -1.937 . . . . 1.0 111.851 174.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.25 -41.92 98.86 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 120.683 -1.261 . . . . 1.0 113.862 176.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.9 mt -60.75 -46.95 88.48 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.36 -1.463 . . . . 1.0 113.494 173.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -65.43 -45.12 85.11 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 121.006 -1.059 . . . . 1.0 113.709 176.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -73.01 -39.24 66.17 Favored 'General case' 0 C--N 1.347 0.489 0 N-CA-C 115.916 1.821 . . . . 1.0 115.916 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.1 t -97.56 -58.29 3.91 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 O-C-N 120.152 -1.593 . . . . 1.0 112.055 -171.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 13.7 m-90 -69.41 -44.41 71.46 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 121.142 -0.974 . . . . 1.0 111.472 178.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 134.62 157.52 8.13 Favored Glycine 0 C--N 1.344 1.002 0 CA-C-O 122.302 0.946 . . . . 1.0 111.53 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.5 p -64.89 -43.58 92.44 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 125.337 1.455 . . . . 1.0 114.347 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -103.52 -12.26 17.24 Favored 'General case' 0 C--N 1.347 0.476 0 C-N-CA 124.297 1.039 . . . . 1.0 111.332 -173.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.1 t -64.43 146.79 12.87 Favored 'Isoleucine or valine' 0 C--N 1.35 0.611 0 C-N-CA 125.681 1.592 . . . . 1.0 109.974 160.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -150.27 153.13 35.63 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 119.787 -1.821 . . . . 1.0 109.945 175.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 m -150.48 179.82 0.52 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 103.34 -2.837 . . . . 1.0 103.34 176.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -69.4 151.38 46.21 Favored 'General case' 0 N--CA 1.44 -0.934 0 O-C-N 120.291 -1.506 . . . . 1.0 110.149 169.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -57.24 -30.17 64.39 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 125.263 1.425 . . . . 1.0 112.231 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -89.27 9.77 24.69 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 114.794 1.405 . . . . 1.0 114.794 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.4 m -76.2 -20.3 57.61 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 119.43 -2.044 . . . . 1.0 110.848 165.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.7 t -63.76 -48.46 86.4 Favored 'Isoleucine or valine' 0 C--N 1.355 0.831 0 O-C-N 120.217 -1.552 . . . . 1.0 112.678 171.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.54 -42.47 87.91 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 126.101 1.76 . . . . 1.0 113.57 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 70.0 t -62.69 -43.84 98.96 Favored 'Isoleucine or valine' 0 C--N 1.348 0.52 0 C-N-CA 125.062 1.345 . . . . 1.0 112.221 174.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -66.93 -37.14 83.78 Favored 'General case' 0 C--N 1.347 0.489 0 O-C-N 120.273 -1.517 . . . . 1.0 114.432 175.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . 0.331 13.8 mm -51.72 -49.02 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.916 1.686 . . . . 1.0 113.038 169.597 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . 0.301 0.0 OUTLIER -50.7 -51.73 46.86 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 124.409 2.052 . . . . 1.0 112.612 171.465 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -56.55 -48.56 77.05 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 126.269 1.827 . . . . 1.0 112.849 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 38.2 tp -59.84 -46.15 90.18 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 120.139 -1.601 . . . . 1.0 113.06 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -58.53 -45.63 88.46 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 120.209 -1.557 . . . . 1.0 113.964 170.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.8 tptp -60.89 -39.35 88.96 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.452 -1.405 . . . . 1.0 113.513 176.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.28 -38.9 91.13 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 115.142 1.534 . . . . 1.0 115.142 173.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.7 mt -95.22 -4.33 46.04 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.21 -1.556 . . . . 1.0 111.721 -174.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -59.59 -45.44 98.68 Favored Pre-proline 0 C--N 1.35 0.612 0 N-CA-C 115.968 1.84 . . . . 1.0 115.968 176.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -70.46 -21.08 30.73 Favored 'Trans proline' 0 CA--C 1.515 -0.434 0 CA-C-N 125.851 3.125 . . . . 1.0 111.285 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -84.76 -7.78 83.68 Favored Glycine 0 C--N 1.346 1.131 0 C-N-CA 123.481 0.562 . . . . 1.0 114.132 170.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.12 11.57 84.75 Favored Glycine 0 C--N 1.352 1.448 0 CA-C-N 119.136 1.468 . . . . 1.0 115.2 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -112.89 12.76 19.49 Favored 'General case' 0 C--N 1.344 0.342 0 O-C-N 120.903 -1.351 . . . . 1.0 112.787 -169.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -58.44 -32.02 68.3 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 126.015 1.726 . . . . 1.0 113.867 168.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -54.07 -31.36 51.44 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 127.761 2.424 . . . . 1.0 115.83 -177.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 75.0 mtp -61.56 -35.3 77.41 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 125.506 1.523 . . . . 1.0 114.836 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 32.0 t -75.99 97.99 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.494 0 C-N-CA 124.381 1.073 . . . . 1.0 110.471 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -97.16 158.97 15.18 Favored 'General case' 0 N--CA 1.444 -0.741 0 O-C-N 120.695 -1.253 . . . . 1.0 110.798 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 56.2 m -115.17 133.43 56.05 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 108.374 -0.973 . . . . 1.0 108.374 -177.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.9 t -111.49 104.01 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 N-CA-C 107.016 -1.476 . . . . 1.0 107.016 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -57.26 128.44 37.02 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 125.201 1.401 . . . . 1.0 113.12 -176.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.82 1.99 90.63 Favored Glycine 0 C--N 1.348 1.235 0 C-N-CA 125.171 1.367 . . . . 1.0 114.065 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 40.4 m -134.95 -61.86 0.74 Allowed 'General case' 0 CA--C 1.508 -0.66 0 O-C-N 121.432 -1.04 . . . . 1.0 110.705 -175.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 163.97 -128.36 1.81 Allowed Glycine 0 CA--C 1.496 -1.114 0 O-C-N 120.223 -1.548 . . . . 1.0 112.146 -170.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -141.78 155.58 45.6 Favored 'General case' 0 C--N 1.346 0.436 0 O-C-N 121.201 -1.176 . . . . 1.0 111.21 -167.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -139.21 134.67 33.03 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 125.073 1.349 . . . . 1.0 108.817 -172.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -110.08 121.57 45.56 Favored 'General case' 0 CA--C 1.509 -0.625 0 O-C-N 120.215 -1.553 . . . . 1.0 108.507 -177.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.9 t -119.15 140.35 50.3 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 123.145 1.45 . . . . 1.0 114.242 -163.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.347 0.491 0 C-N-CA 126.082 1.753 . . . . 1.0 111.861 177.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.7 t . . . . . 0 C--O 1.234 0.256 0 CA-C-O 121.15 0.5 . . . . 1.0 111.766 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.3 mt -113.99 127.37 71.42 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.48 0 N-CA-C 106.475 -1.676 . . . . 1.0 106.475 174.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -132.36 122.71 25.47 Favored 'General case' 0 C--N 1.346 0.448 0 O-C-N 120.984 -1.072 . . . . 1.0 109.91 177.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -151.78 140.81 21.16 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 121.174 -0.954 . . . . 1.0 109.824 179.004 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 61.23 21.59 12.03 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 125.769 1.627 . . . . 1.0 115.008 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.44 0.36 88.99 Favored Glycine 0 C--N 1.352 1.428 0 O-C-N 120.58 -1.325 . . . . 1.0 115.071 -171.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.9 tp -99.68 128.08 45.79 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.301 1.44 . . . . 1.0 108.141 177.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.8 p -125.44 144.76 50.38 Favored 'General case' 0 CA--C 1.512 -0.507 0 O-C-N 120.794 -1.191 . . . . 1.0 111.802 -177.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.8 tt -139.21 128.43 24.01 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 124.217 1.007 . . . . 1.0 109.409 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -110.6 113.83 55.39 Favored Pre-proline 0 C--N 1.348 0.509 0 N-CA-C 107.419 -1.326 . . . . 1.0 107.419 176.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -71.09 -21.41 27.45 Favored 'Trans proline' 0 CA--C 1.51 -0.701 0 C-N-CA 122.651 2.234 . . . . 1.0 112.9 -176.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.7 m -85.18 -44.4 12.97 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-N 118.9 0.773 . . . . 1.0 110.291 -175.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.9 m -77.89 -15.33 59.11 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 120.793 -1.192 . . . . 1.0 112.793 174.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 67.78 37.08 3.3 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 125.223 1.409 . . . . 1.0 111.52 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -118.78 133.82 55.58 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.389 1.076 . . . . 1.0 109.84 -164.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.1 t -121.18 132.77 69.76 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 N-CA-C 107.902 -1.148 . . . . 1.0 107.902 175.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 72.1 mtp -132.77 153.79 50.88 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 121.109 -0.995 . . . . 1.0 111.016 176.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -128.01 124.64 37.67 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 107.263 -1.384 . . . . 1.0 107.263 170.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.96 -113.86 4.79 Favored Glycine 0 C--N 1.352 1.47 0 O-C-N 121.416 -0.803 . . . . 1.0 112.897 -169.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -103.73 3.07 33.76 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.879 1.271 . . . . 1.0 113.716 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -123.81 139.65 32.79 Favored Pre-proline 0 C--N 1.357 0.911 0 O-C-N 120.507 -1.371 . . . . 1.0 113.39 -171.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -70.89 162.92 40.99 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 123.437 2.758 . . . . 1.0 113.816 173.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.6 mt -124.48 163.06 22.62 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-O 122.44 1.114 . . . . 1.0 111.19 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -117.36 121.83 42.19 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 120.744 -1.223 . . . . 1.0 112.028 -170.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.7 ptp -160.26 163.51 33.4 Favored 'General case' 0 N--CA 1.445 -0.697 0 O-C-N 121.544 -0.723 . . . . 1.0 109.44 176.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -85.66 177.49 49.9 Favored Glycine 0 C--N 1.352 1.452 0 O-C-N 121.304 -0.873 . . . . 1.0 112.929 177.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -72.21 -31.59 11.68 Favored 'Trans proline' 0 C--N 1.326 -0.623 0 C-N-CA 122.564 2.176 . . . . 1.0 112.689 -173.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.3 m -64.85 -43.26 93.58 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.745 1.157 . . . . 1.0 112.115 172.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -63.03 -41.49 99.54 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 120.568 -1.333 . . . . 1.0 112.709 172.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -60.38 -44.56 95.51 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 121.081 -1.012 . . . . 1.0 112.625 175.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -62.46 -42.89 99.79 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.844 -1.16 . . . . 1.0 112.839 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.2 tp -63.62 -45.16 91.54 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 124.868 1.267 . . . . 1.0 113.543 172.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.2 tp -63.85 -40.76 97.33 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 120.383 -1.448 . . . . 1.0 113.21 176.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.4 t-160 -61.01 -41.29 96.27 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.505 -1.372 . . . . 1.0 112.87 173.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -61.41 -46.0 91.97 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 120.956 -1.09 . . . . 1.0 111.987 170.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -61.8 -43.5 98.73 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 120.326 -1.484 . . . . 1.0 114.901 175.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 96.9 mtp -75.34 -16.44 60.4 Favored 'General case' 0 C--N 1.346 0.416 0 O-C-N 119.598 -1.938 . . . . 1.0 113.405 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.5 p -95.58 -1.86 49.56 Favored 'General case' 0 C--N 1.347 0.473 0 O-C-N 120.732 -1.23 . . . . 1.0 110.918 169.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -141.47 61.01 12.75 Favored Pre-proline 0 C--N 1.349 0.555 0 O-C-N 120.556 -1.34 . . . . 1.0 113.637 175.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -77.41 149.32 27.41 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 122.676 2.251 . . . . 1.0 111.617 177.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . 0.298 20.7 mm-40 81.53 32.21 0.12 Allowed 'General case' 0 C--N 1.344 0.365 0 C-N-CA 126.598 1.959 . . . . 1.0 114.752 168.595 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -142.27 141.39 32.44 Favored 'General case' 0 C--N 1.346 0.452 0 O-C-N 121.201 -0.937 . . . . 1.0 110.187 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.6 t -84.34 132.41 31.64 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 CA-C-O 122.352 1.072 . . . . 1.0 110.988 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -124.95 130.15 51.78 Favored 'General case' 0 CA--C 1.51 -0.569 0 C-N-CA 124.924 1.29 . . . . 1.0 108.425 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 84.7 p -66.57 160.52 25.09 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 123.58 0.752 . . . . 1.0 110.739 168.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -59.77 -36.82 77.47 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 120.128 -1.608 . . . . 1.0 112.098 175.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 -60.08 -42.1 93.89 Favored 'General case' 0 C--N 1.347 0.462 0 N-CA-C 114.504 1.298 . . . . 1.0 114.504 170.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -64.45 -41.29 96.61 Favored 'General case' 0 C--N 1.362 1.111 0 O-C-N 119.626 -1.921 . . . . 1.0 111.727 174.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.88 -41.01 97.36 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.698 -1.251 . . . . 1.0 113.573 172.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.4 mt -60.3 -47.08 87.56 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.321 -1.487 . . . . 1.0 113.12 171.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -62.91 -45.51 92.16 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 121.152 -0.968 . . . . 1.0 113.442 177.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -70.62 -34.9 72.62 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 115.927 1.825 . . . . 1.0 115.927 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.7 t -109.25 -72.49 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.457 0 O-C-N 121.065 -1.022 . . . . 1.0 110.943 -171.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 8.3 m-90 -61.06 -37.35 82.35 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 125.685 1.594 . . . . 1.0 114.864 -173.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 141.18 148.37 5.07 Favored Glycine 0 C--N 1.345 1.052 0 CA-C-O 122.418 1.01 . . . . 1.0 112.546 177.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.0 p -72.39 -17.15 61.84 Favored 'General case' 0 CA--C 1.516 -0.34 0 O-C-N 120.401 -1.646 . . . . 1.0 113.92 -178.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -115.94 11.28 15.41 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.731 -1.231 . . . . 1.0 110.879 177.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.3 p -61.32 146.15 12.1 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 O-C-N 120.285 -1.509 . . . . 1.0 114.028 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -114.0 5.81 16.25 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 122.376 1.084 . . . . 1.0 112.391 -161.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 31.0 m -76.03 160.6 4.97 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 CA-C-O 123.121 1.439 . . . . 1.0 113.344 -176.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -76.13 150.17 37.24 Favored 'General case' 0 N--CA 1.434 -1.242 0 O-C-N 120.866 -1.146 . . . . 1.0 110.159 172.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.66 -29.96 66.98 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.198 1.799 . . . . 1.0 110.92 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -72.86 -7.52 51.23 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 114.957 1.465 . . . . 1.0 114.957 177.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 50.8 m -70.03 -26.17 63.91 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 119.449 -2.032 . . . . 1.0 111.824 165.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.6 t -63.26 -45.74 97.55 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 O-C-N 120.254 -1.529 . . . . 1.0 111.897 169.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -56.33 -44.17 79.74 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 124.871 1.268 . . . . 1.0 113.064 -179.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 88.1 t -64.35 -44.69 97.24 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 C-N-CA 125.236 1.414 . . . . 1.0 112.983 176.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -72.47 -30.89 64.96 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 119.672 -1.893 . . . . 1.0 113.269 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 11.1 mm -61.34 -42.98 95.72 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 O-C-N 120.482 -1.386 . . . . 1.0 111.707 168.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.59 -45.63 93.3 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 121.025 -1.047 . . . . 1.0 112.256 175.181 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 45.5 mtt-85 -59.56 -42.41 92.36 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 114.869 1.433 . . . . 1.0 114.869 170.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 45.6 tp -62.33 -42.9 99.76 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.841 -1.162 . . . . 1.0 113.216 175.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -60.26 -44.49 95.25 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 119.904 -1.747 . . . . 1.0 113.883 170.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -61.56 -35.35 77.52 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-O 122.567 1.175 . . . . 1.0 113.302 175.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.32 -39.7 93.92 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 114.837 1.421 . . . . 1.0 114.837 171.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.5 mt -96.94 -7.37 33.37 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.639 -1.288 . . . . 1.0 111.624 -173.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.14 -46.17 97.87 Favored Pre-proline 0 C--N 1.349 0.565 0 N-CA-C 116.436 2.013 . . . . 1.0 116.436 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -76.98 -14.72 16.88 Favored 'Trans proline' 0 CA--C 1.518 -0.324 0 CA-C-N 125.747 3.088 . . . . 1.0 110.509 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -85.54 -2.9 86.88 Favored Glycine 0 C--N 1.348 1.208 0 C-N-CA 125.244 1.402 . . . . 1.0 113.788 169.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.6 8.99 87.42 Favored Glycine 0 C--N 1.35 1.342 0 CA-C-N 118.669 1.235 . . . . 1.0 115.737 177.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -118.9 18.61 13.23 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 120.681 -1.482 . . . . 1.0 114.889 -167.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 48.2 p-10 -54.37 -33.2 58.65 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.964 1.306 . . . . 1.0 113.792 162.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -55.32 -35.54 65.26 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 127.838 2.455 . . . . 1.0 114.495 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 60.7 mtp -60.57 -37.53 81.58 Favored 'General case' 0 C--N 1.346 0.446 0 N-CA-C 113.975 1.102 . . . . 1.0 113.975 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 38.3 t -81.46 98.08 3.94 Favored 'Isoleucine or valine' 0 C--N 1.346 0.429 0 C-N-CA 124.243 1.017 . . . . 1.0 109.984 176.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -96.06 155.97 16.53 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.309 1.444 . . . . 1.0 111.417 -175.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.1 m -110.36 138.73 46.35 Favored 'General case' 0 CA--C 1.502 -0.897 0 C-N-CA 124.371 1.068 . . . . 1.0 108.665 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 46.9 t -119.99 103.78 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 108.287 -1.005 . . . . 1.0 108.287 173.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 71.6 ttt-85 -53.01 124.28 13.85 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 125.616 1.566 . . . . 1.0 114.342 -178.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.33 3.15 90.65 Favored Glycine 0 C--N 1.351 1.375 0 C-N-CA 125.414 1.483 . . . . 1.0 114.516 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 69.3 m -135.09 -59.65 0.78 Allowed 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 121.522 -0.987 . . . . 1.0 110.904 -172.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 165.51 -133.9 3.12 Favored Glycine 0 C--N 1.35 1.331 0 O-C-N 119.87 -1.769 . . . . 1.0 113.624 -173.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -141.01 165.75 26.7 Favored 'General case' 0 C--N 1.345 0.374 0 O-C-N 121.756 -0.849 . . . . 1.0 110.348 -172.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -146.29 149.76 34.47 Favored 'General case' 0 C--N 1.347 0.483 0 O-C-N 120.937 -1.102 . . . . 1.0 108.397 -178.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -109.97 139.29 45.23 Favored 'General case' 0 C--N 1.349 0.575 0 N-CA-C 107.602 -1.258 . . . . 1.0 107.602 171.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.8 t -144.6 147.93 33.73 Favored 'General case' 0 CA--C 1.506 -0.747 0 O-C-N 120.409 -1.432 . . . . 1.0 112.864 -171.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 38.6 p . . . . . 0 CA--C 1.511 -0.554 0 C-N-CA 126.512 1.925 . . . . 1.0 111.028 -177.526 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.7 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 104.822 -2.288 . . . . 1.0 104.822 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.2 mt -128.53 120.0 51.62 Favored 'Isoleucine or valine' 0 C--N 1.345 0.406 0 N-CA-C 106.776 -1.565 . . . . 1.0 106.776 162.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -109.42 110.4 21.52 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 107.703 -1.221 . . . . 1.0 107.703 169.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 55.8 ttp -143.77 119.12 10.24 Favored 'General case' 0 N--CA 1.449 -0.478 0 O-C-N 120.465 -1.397 . . . . 1.0 111.068 -173.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 54.96 45.6 26.09 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 116.464 2.024 . . . . 1.0 116.464 174.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.9 6.07 88.74 Favored Glycine 0 C--N 1.346 1.096 0 O-C-N 120.81 -1.181 . . . . 1.0 113.437 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.9 tp -122.83 126.68 47.86 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 124.177 0.991 . . . . 1.0 109.158 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.3 p -122.39 126.48 48.07 Favored 'General case' 0 CA--C 1.51 -0.569 0 O-C-N 120.421 -1.424 . . . . 1.0 111.739 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.9 tt -124.91 137.37 54.28 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 125.213 1.405 . . . . 1.0 109.5 -174.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -120.64 117.13 31.48 Favored Pre-proline 0 N--CA 1.449 -0.512 0 N-CA-C 107.759 -1.2 . . . . 1.0 107.759 176.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_exo -64.66 -32.59 57.41 Favored 'Trans proline' 0 CA--C 1.513 -0.538 0 C-N-CA 122.855 2.37 . . . . 1.0 113.901 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.5 m -70.41 -47.92 58.54 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 118.79 0.723 . . . . 1.0 111.561 -174.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.7 p -87.98 -15.03 37.59 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 120.312 -1.492 . . . . 1.0 112.509 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 66.09 28.86 10.19 Favored 'General case' 0 C--N 1.35 0.616 0 C-N-CA 126.674 1.99 . . . . 1.0 113.009 -172.681 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -97.9 132.41 43.51 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 121.117 -0.989 . . . . 1.0 111.068 -173.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 50.5 t -119.49 126.25 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 C-N-CA 124.875 1.27 . . . . 1.0 107.611 177.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.4 mtp -126.6 146.71 50.05 Favored 'General case' 0 N--CA 1.448 -0.526 0 O-C-N 120.8 -1.188 . . . . 1.0 109.905 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.17 108.33 16.82 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.454 -0.943 . . . . 1.0 108.454 171.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.89 -105.54 0.87 Allowed Glycine 0 C--N 1.349 1.288 0 O-C-N 121.186 -0.946 . . . . 1.0 112.47 -165.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -110.44 4.42 20.55 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.993 1.317 . . . . 1.0 111.576 177.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -98.62 117.14 64.99 Favored Pre-proline 0 C--N 1.35 0.611 0 O-C-N 119.889 -1.757 . . . . 1.0 111.684 -175.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -76.83 139.79 20.03 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 CA-C-N 123.864 2.416 . . . . 1.0 112.004 175.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.4 mt -112.74 166.71 11.11 Favored 'General case' 0 C--N 1.346 0.448 0 C-N-CA 124.98 1.312 . . . . 1.0 110.86 -174.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -128.23 138.35 52.41 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 114.275 1.213 . . . . 1.0 114.275 -175.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 21.6 ptp -162.19 163.22 28.45 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 120.929 -1.107 . . . . 1.0 110.737 177.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.63 175.81 53.42 Favored Glycine 0 C--N 1.35 1.307 0 O-C-N 121.025 -1.047 . . . . 1.0 112.654 171.181 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -73.69 -33.16 6.84 Favored 'Trans proline' 0 C--N 1.325 -0.686 0 C-N-CA 122.29 1.993 . . . . 1.0 112.555 -168.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.3 m -67.2 -36.55 81.97 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 120.353 1.433 . . . . 1.0 111.692 176.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.03 -41.89 97.27 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.275 -1.516 . . . . 1.0 111.994 170.303 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -61.18 -44.95 96.49 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 121.12 -0.988 . . . . 1.0 112.707 174.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -60.15 -42.84 95.73 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.803 -1.186 . . . . 1.0 113.178 174.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.7 tp -65.12 -45.73 83.88 Favored 'General case' 0 C--N 1.35 0.615 0 N-CA-C 113.567 0.951 . . . . 1.0 113.567 175.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.9 tp -63.64 -42.73 98.1 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.815 -1.178 . . . . 1.0 112.726 176.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -61.04 -41.56 96.82 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.801 -1.187 . . . . 1.0 113.083 175.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -63.16 -46.24 88.1 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 121.303 -0.873 . . . . 1.0 112.692 172.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -63.24 -41.25 99.07 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 120.188 -1.57 . . . . 1.0 114.831 175.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 85.1 mtp -63.95 -33.05 74.84 Favored 'General case' 0 C--N 1.346 0.446 0 O-C-N 120.205 -1.559 . . . . 1.0 114.55 175.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.8 p -79.53 -13.43 59.55 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 120.338 -1.476 . . . . 1.0 112.934 172.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -129.96 65.21 74.73 Favored Pre-proline 0 C--N 1.352 0.678 0 O-C-N 120.564 -1.335 . . . . 1.0 114.016 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -76.09 149.83 32.89 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.964 2.443 . . . . 1.0 112.218 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 63.57 42.12 6.74 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 127.273 2.229 . . . . 1.0 115.213 173.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -146.64 137.31 23.95 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 120.815 -1.178 . . . . 1.0 108.152 174.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.9 t -89.52 127.09 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-O 122.587 1.184 . . . . 1.0 110.854 -176.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -115.49 128.74 56.22 Favored 'General case' 0 CA--C 1.502 -0.882 0 C-N-CA 125.379 1.471 . . . . 1.0 107.221 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 42.4 p -64.86 161.5 18.16 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 123.876 0.87 . . . . 1.0 111.575 171.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -60.43 -37.08 79.77 Favored 'General case' 0 C--N 1.346 0.439 0 O-C-N 120.277 -1.515 . . . . 1.0 111.915 174.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -60.0 -43.44 95.19 Favored 'General case' 0 C--N 1.348 0.523 0 N-CA-C 114.33 1.233 . . . . 1.0 114.33 170.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -64.38 -41.62 96.59 Favored 'General case' 0 C--N 1.362 1.122 0 O-C-N 119.594 -1.941 . . . . 1.0 112.007 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.39 -42.17 98.29 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.794 -1.191 . . . . 1.0 112.743 173.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 72.3 mt -59.75 -40.26 87.52 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.514 -1.366 . . . . 1.0 113.832 171.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -63.37 -48.48 77.74 Favored 'General case' 0 C--N 1.348 0.536 0 O-C-N 120.376 -1.452 . . . . 1.0 113.029 173.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -78.26 -39.99 38.46 Favored 'General case' 0 C--N 1.345 0.375 0 N-CA-C 115.86 1.8 . . . . 1.0 115.86 -175.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 73.5 t -106.33 -29.51 2.7 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 O-C-N 120.377 -1.452 . . . . 1.0 112.051 -167.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 9.8 m-90 -100.62 -13.98 18.34 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 120.378 -1.451 . . . . 1.0 110.252 177.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.37 22.68 28.72 Favored Glycine 0 C--N 1.346 1.108 0 O-C-N 120.53 -1.356 . . . . 1.0 114.686 166.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.5 m 79.52 -47.76 0.37 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.479 1.512 . . . . 1.0 113.321 168.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -91.04 34.65 0.92 Allowed 'General case' 0 C--N 1.345 0.385 0 C-N-CA 125.891 1.676 . . . . 1.0 111.685 -174.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 77.6 t -125.65 133.73 68.42 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.846 0 N-CA-C 105.338 -2.097 . . . . 1.0 105.338 174.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -118.41 6.09 11.8 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 122.679 1.228 . . . . 1.0 113.837 -148.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.2 m -41.18 157.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 130.419 3.488 . . . . 1.0 116.506 172.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -58.56 162.93 3.48 Favored 'General case' 0 C--N 1.347 0.46 0 O-C-N 120.737 -1.227 . . . . 1.0 113.617 164.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -57.96 -32.6 68.01 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.633 -1.292 . . . . 1.0 113.255 173.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -91.96 0.44 57.47 Favored 'General case' 0 N--CA 1.447 -0.624 0 O-C-N 120.221 -1.549 . . . . 1.0 114.573 -160.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.2 t -73.21 -21.19 60.71 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 119.967 -1.708 . . . . 1.0 110.979 164.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.6 t -63.14 -47.5 92.13 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 O-C-N 120.077 -1.64 . . . . 1.0 111.706 168.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.78 -44.39 90.69 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 126.103 1.761 . . . . 1.0 112.828 176.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 69.5 t -63.76 -43.12 97.87 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 C-N-CA 124.546 1.139 . . . . 1.0 112.84 173.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -66.09 -36.04 82.12 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 119.738 -1.851 . . . . 1.0 113.53 174.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.5 mm -60.28 -41.45 87.08 Favored 'Isoleucine or valine' 0 C--N 1.348 0.515 0 O-C-N 120.27 -1.519 . . . . 1.0 112.723 170.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -60.45 -45.03 95.17 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 120.511 -1.368 . . . . 1.0 112.609 171.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -62.07 -39.35 92.11 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.684 -1.26 . . . . 1.0 113.798 174.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.5 tp -64.16 -45.13 89.8 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 124.713 1.205 . . . . 1.0 113.974 173.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -59.86 -43.19 94.8 Favored 'General case' 0 C--N 1.355 0.804 0 O-C-N 119.813 -1.804 . . . . 1.0 113.721 171.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -59.79 -41.66 91.64 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 121.031 -1.043 . . . . 1.0 113.004 173.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.4 93.61 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 115.144 1.535 . . . . 1.0 115.144 174.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.9 mt -97.99 0.63 46.71 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 121.045 -1.034 . . . . 1.0 112.251 -173.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -61.31 -45.87 95.09 Favored Pre-proline 0 CA--C 1.538 0.5 0 CA-C-O 117.055 -1.45 . . . . 1.0 114.891 172.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -56.94 124.15 15.57 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 CA-C-N 125.369 2.953 . . . . 1.0 112.57 159.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.36 -0.27 89.16 Favored Glycine 0 C--N 1.342 0.916 0 C-N-CA 125.899 1.714 . . . . 1.0 115.334 -172.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 69.3 39.37 81.75 Favored Glycine 0 C--N 1.349 1.303 0 N-CA-C 117.622 1.809 . . . . 1.0 117.622 167.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -109.74 4.45 21.86 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 119.44 1.62 . . . . 1.0 113.011 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -54.7 -33.18 60.59 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.447 -1.408 . . . . 1.0 114.117 167.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -58.64 -27.42 64.73 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 116.764 2.135 . . . . 1.0 116.764 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 59.1 mtp -66.85 -35.84 80.96 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 125.026 1.33 . . . . 1.0 113.88 176.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.8 t -78.36 100.1 3.22 Favored 'Isoleucine or valine' 0 C--N 1.349 0.563 0 C-N-CA 126.234 1.814 . . . . 1.0 110.975 -176.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -121.69 153.08 38.65 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 120.349 -1.469 . . . . 1.0 112.417 -166.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 66.6 m -113.94 134.87 54.55 Favored 'General case' 0 CA--C 1.505 -0.76 0 C-N-CA 124.173 0.989 . . . . 1.0 111.256 -168.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.4 t -114.18 106.92 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 C-N-CA 124.819 1.248 . . . . 1.0 107.992 177.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.6 ttt85 -60.31 129.05 39.75 Favored 'General case' 0 C--N 1.346 0.451 0 C-N-CA 125.431 1.493 . . . . 1.0 113.34 -176.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.13 2.77 90.63 Favored Glycine 0 C--N 1.348 1.236 0 O-C-N 121.091 -1.006 . . . . 1.0 114.072 -178.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 85.7 m -133.49 -63.77 0.74 Allowed 'General case' 0 C--N 1.349 0.559 0 O-C-N 121.152 -1.205 . . . . 1.0 110.334 -176.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 161.85 -130.13 2.24 Favored Glycine 0 C--N 1.347 1.176 0 O-C-N 120.434 -1.416 . . . . 1.0 111.946 -170.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -141.03 160.87 39.15 Favored 'General case' 0 C--N 1.346 0.452 0 O-C-N 121.239 -1.153 . . . . 1.0 112.102 -166.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -144.11 153.0 41.69 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 125.978 1.711 . . . . 1.0 108.466 -173.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -121.7 132.01 54.4 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.393 -1.442 . . . . 1.0 108.186 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.3 t -125.57 141.95 51.76 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.356 -1.465 . . . . 1.0 114.352 -171.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.7 p . . . . . 0 C--N 1.352 0.678 0 C-N-CA 126.833 2.053 . . . . 1.0 112.095 -178.748 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 C--O 1.235 0.308 0 CA-C-O 122.452 1.12 . . . . 1.0 113.465 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.1 mt -104.46 123.61 58.47 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.39 0 N-CA-C 107.004 -1.48 . . . . 1.0 107.004 -178.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -123.13 124.08 42.26 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 121.325 -0.859 . . . . 1.0 111.335 -171.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 36.2 mtt -140.59 117.69 11.23 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.235 1.014 . . . . 1.0 110.918 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 53.19 44.08 30.72 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 115.162 1.542 . . . . 1.0 115.162 169.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.96 -1.21 85.37 Favored Glycine 0 C--N 1.35 1.343 0 O-C-N 120.443 -1.41 . . . . 1.0 116.029 -175.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.0 tp -105.66 127.59 53.15 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 120.711 -1.464 . . . . 1.0 108.272 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.0 p -127.49 129.56 47.64 Favored 'General case' 0 C--N 1.344 0.355 0 O-C-N 120.749 -1.219 . . . . 1.0 111.621 -177.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 tt -122.51 129.17 51.69 Favored 'General case' 0 CA--C 1.511 -0.53 0 C-N-CA 124.949 1.3 . . . . 1.0 109.27 -176.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -109.44 113.15 58.6 Favored Pre-proline 0 N--CA 1.448 -0.569 0 N-CA-C 107.515 -1.291 . . . . 1.0 107.515 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -66.21 -30.06 46.52 Favored 'Trans proline' 0 CA--C 1.508 -0.784 0 C-N-CA 122.658 2.239 . . . . 1.0 113.065 -175.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 83.0 m -84.19 -39.51 19.27 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-O 122.127 0.965 . . . . 1.0 109.511 -174.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.6 t -79.13 -16.94 55.95 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.371 -1.455 . . . . 1.0 113.38 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 68.0 27.52 7.06 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 125.826 1.65 . . . . 1.0 112.913 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -125.25 135.65 52.75 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 123.388 0.675 . . . . 1.0 111.434 -163.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.3 t -116.92 128.91 74.21 Favored 'Isoleucine or valine' 0 C--N 1.346 0.441 0 C-N-CA 124.374 1.07 . . . . 1.0 108.867 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 80.3 mtp -122.56 142.4 50.66 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.871 -1.143 . . . . 1.0 109.856 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.09 124.85 40.18 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 121.153 -0.967 . . . . 1.0 109.042 176.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.25 -106.28 1.38 Allowed Glycine 0 C--N 1.35 1.332 0 O-C-N 120.64 -1.288 . . . . 1.0 112.048 -172.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -114.73 4.27 14.95 Favored 'General case' 0 C--N 1.343 0.292 0 O-C-N 121.336 -1.097 . . . . 1.0 112.706 170.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -109.19 130.7 22.44 Favored Pre-proline 0 C--N 1.35 0.592 0 O-C-N 120.305 -1.497 . . . . 1.0 112.531 -167.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.79 139.34 19.72 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 122.503 2.135 . . . . 1.0 112.641 170.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.9 mt -101.22 167.4 10.23 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 125.143 1.377 . . . . 1.0 111.262 -177.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -123.28 129.39 51.29 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 120.612 -1.305 . . . . 1.0 111.844 -177.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.2 ptp -154.5 168.31 27.15 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 120.948 -1.095 . . . . 1.0 111.504 174.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.83 174.56 51.48 Favored Glycine 0 C--N 1.35 1.346 0 O-C-N 120.783 -1.198 . . . . 1.0 113.45 172.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -80.2 -32.31 1.41 Allowed 'Trans proline' 0 C--N 1.326 -0.644 0 C-N-CA 121.889 1.726 . . . . 1.0 112.378 -167.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.7 m -66.0 -37.26 85.48 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 122.68 1.229 . . . . 1.0 110.944 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -62.51 -42.97 99.87 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 124.936 1.294 . . . . 1.0 112.045 175.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -60.78 -42.57 97.8 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 124.601 1.16 . . . . 1.0 113.212 174.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -60.07 -44.65 94.58 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 120.62 -1.3 . . . . 1.0 113.418 177.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.8 tp -64.47 -43.32 94.57 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 121.392 -0.817 . . . . 1.0 113.124 175.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.0 tp -62.77 -43.28 99.22 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 120.715 -1.241 . . . . 1.0 114.009 177.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -61.66 -40.35 94.63 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.565 -1.334 . . . . 1.0 112.353 174.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -62.13 -44.03 97.53 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 124.021 0.929 . . . . 1.0 112.506 172.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -61.77 -44.56 96.65 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 120.105 -1.622 . . . . 1.0 114.723 173.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 98.2 mtp -74.98 -17.28 60.56 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 119.693 -1.88 . . . . 1.0 113.477 -178.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.3 p -94.46 -0.47 54.71 Favored 'General case' 0 C--N 1.345 0.387 0 O-C-N 120.221 -1.549 . . . . 1.0 110.895 172.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -140.88 62.59 17.45 Favored Pre-proline 0 C--N 1.351 0.645 0 O-C-N 121.129 -0.982 . . . . 1.0 112.904 174.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -78.61 150.7 24.79 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 123.605 2.87 . . . . 1.0 111.877 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 64.01 37.37 9.31 Favored 'General case' 0 C--N 1.347 0.459 0 C-N-CA 127.051 2.14 . . . . 1.0 112.437 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -137.32 126.99 25.33 Favored 'General case' 0 C--N 1.346 0.426 0 O-C-N 120.911 -1.118 . . . . 1.0 109.593 -170.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 18.6 t -92.87 129.73 42.98 Favored 'Isoleucine or valine' 0 C--N 1.345 0.407 0 CA-C-O 122.816 1.293 . . . . 1.0 111.324 -175.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -129.38 132.0 46.95 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 125.852 1.661 . . . . 1.0 108.014 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.4 p -74.08 165.41 25.19 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.175 1.39 . . . . 1.0 111.105 169.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 75.4 mtt85 -59.7 -38.12 80.74 Favored 'General case' 0 C--N 1.35 0.629 0 O-C-N 120.486 -1.384 . . . . 1.0 111.895 175.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -57.82 -44.37 86.36 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.647 1.179 . . . . 1.0 113.584 172.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -66.88 -41.22 87.59 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 120.039 -1.663 . . . . 1.0 112.496 175.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.27 -39.77 95.52 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 120.194 -1.566 . . . . 1.0 113.979 174.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.0 mt -60.4 -45.2 94.43 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.567 -1.333 . . . . 1.0 112.771 171.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -60.43 -45.61 93.01 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 113.369 0.878 . . . . 1.0 113.369 175.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -79.64 -45.12 19.66 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 115.848 1.796 . . . . 1.0 115.848 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.7 t -88.83 -46.33 15.49 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 O-C-N 120.167 -1.583 . . . . 1.0 112.503 -170.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 13.8 m-90 -84.49 -42.78 15.22 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 120.87 -1.144 . . . . 1.0 111.03 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 113.94 166.77 16.03 Favored Glycine 0 C--N 1.346 1.127 0 CA-C-O 122.497 1.054 . . . . 1.0 113.516 -173.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.9 p -97.69 -9.64 26.38 Favored 'General case' 0 C--N 1.345 0.412 0 O-C-N 120.594 -1.533 . . . . 1.0 114.409 -169.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -96.01 -2.48 46.8 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 119.685 -1.884 . . . . 1.0 109.346 169.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.3 t -92.79 146.21 6.67 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 C-N-CA 125.869 1.668 . . . . 1.0 108.895 174.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -145.63 140.37 27.29 Favored 'General case' 0 C--N 1.346 0.423 0 O-C-N 120.592 -1.317 . . . . 1.0 109.856 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.1 m -155.33 170.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.453 0 N-CA-C 104.748 -2.316 . . . . 1.0 104.748 -178.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -70.62 157.47 37.89 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.835 -1.166 . . . . 1.0 110.625 172.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -64.63 -28.78 69.85 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 125.959 1.704 . . . . 1.0 110.811 -176.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -15.02 61.43 Favored 'General case' 0 N--CA 1.434 -1.243 0 C-N-CA 126.548 1.939 . . . . 1.0 113.849 -179.324 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.3 m -64.89 -30.36 71.36 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 119.798 -1.814 . . . . 1.0 111.884 168.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.2 t -65.7 -47.12 87.17 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 O-C-N 120.491 -1.381 . . . . 1.0 112.367 168.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.38 -44.95 84.89 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 125.398 1.479 . . . . 1.0 113.734 178.289 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.86 -42.8 97.04 Favored 'Isoleucine or valine' 0 C--N 1.347 0.476 0 C-N-CA 124.689 1.196 . . . . 1.0 112.207 174.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 53.3 m-70 -66.65 -34.48 77.96 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 119.651 -1.906 . . . . 1.0 114.287 174.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.9 mm -60.91 -43.03 94.94 Favored 'Isoleucine or valine' 0 C--N 1.344 0.336 0 O-C-N 120.172 -1.58 . . . . 1.0 112.354 171.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -61.08 -45.15 95.9 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.908 -1.12 . . . . 1.0 112.894 171.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -62.18 -39.51 92.96 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 120.47 -1.394 . . . . 1.0 113.877 176.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 41.5 tp -64.72 -45.32 87.05 Favored 'General case' 0 C--N 1.349 0.554 0 N-CA-C 113.885 1.068 . . . . 1.0 113.885 172.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -60.96 -43.52 98.63 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 120.087 -1.633 . . . . 1.0 113.569 172.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -60.15 -37.35 79.85 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 120.423 -1.423 . . . . 1.0 113.044 174.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.57 -38.45 91.18 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 115.355 1.613 . . . . 1.0 115.355 172.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.0 mt -94.57 -6.83 42.74 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 120.769 -1.207 . . . . 1.0 111.643 -174.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -61.92 -43.81 88.19 Favored Pre-proline 0 C--N 1.349 0.56 0 C-N-CA 125.816 1.646 . . . . 1.0 114.796 174.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -57.32 -24.97 62.92 Favored 'Trans proline' 0 CA--C 1.515 -0.448 0 C-N-CA 123.328 2.685 . . . . 1.0 114.395 168.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -95.59 0.97 63.56 Favored Glycine 0 C--N 1.346 1.115 0 C-N-CA 124.346 0.974 . . . . 1.0 114.183 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 60.67 28.65 68.3 Favored Glycine 0 C--N 1.351 1.374 0 CA-C-N 119.071 1.435 . . . . 1.0 115.359 -178.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 47.1 m80 -127.56 13.06 6.98 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 121.147 -1.208 . . . . 1.0 112.343 -174.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -56.38 -31.36 63.76 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 125.823 1.649 . . . . 1.0 114.19 167.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -56.55 -29.05 61.51 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 127.853 2.461 . . . . 1.0 116.253 178.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 40.9 mtp -65.28 -34.04 77.4 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 119.707 -1.871 . . . . 1.0 113.86 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 40.8 t -76.1 111.41 12.58 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 C-N-CA 125.525 1.53 . . . . 1.0 111.067 174.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -117.23 150.0 39.48 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 120.399 -1.438 . . . . 1.0 110.785 -172.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 27.9 m -111.44 137.3 49.42 Favored 'General case' 0 CA--C 1.51 -0.58 0 C-N-CA 123.884 0.873 . . . . 1.0 109.42 -176.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.6 t -118.95 109.71 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 O-C-N 120.77 -1.206 . . . . 1.0 107.895 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 44.3 ttt85 -54.79 111.68 0.87 Allowed 'General case' 0 C--N 1.354 0.783 0 N-CA-C 115.164 1.542 . . . . 1.0 115.164 -172.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.01 0.82 89.41 Favored Glycine 0 C--N 1.35 1.306 0 O-C-N 120.463 -1.398 . . . . 1.0 113.741 175.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.2 m -119.99 -36.19 3.33 Favored 'General case' 0 CA--C 1.51 -0.576 0 C-N-CA 123.976 0.91 . . . . 1.0 109.593 -174.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 138.65 -129.03 4.33 Favored Glycine 0 C--N 1.351 1.365 0 O-C-N 120.533 -1.354 . . . . 1.0 112.733 177.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -139.18 165.44 27.14 Favored 'General case' 0 CA--C 1.509 -0.604 0 O-C-N 121.649 -0.913 . . . . 1.0 111.098 -172.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -145.68 147.05 31.56 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.59 1.156 . . . . 1.0 108.557 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -117.49 141.68 48.06 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 106.767 -1.568 . . . . 1.0 106.767 174.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.0 t -143.84 141.0 30.12 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 120.41 -1.431 . . . . 1.0 112.711 -173.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.1 p . . . . . 0 C--N 1.349 0.577 0 C-N-CA 123.875 0.87 . . . . 1.0 111.829 174.309 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.2 t . . . . . 0 C--O 1.236 0.349 0 N-CA-C 112.705 0.631 . . . . 1.0 112.705 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.6 mt -111.67 117.79 55.99 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 N-CA-C 106.83 -1.544 . . . . 1.0 106.83 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -127.08 119.43 26.53 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 121.342 -0.849 . . . . 1.0 110.308 -174.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -162.02 149.01 13.89 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-O 121.946 0.879 . . . . 1.0 111.161 172.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 50.62 49.62 20.5 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 127.207 2.203 . . . . 1.0 115.882 177.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.05 3.0 73.98 Favored Glycine 0 C--N 1.348 1.245 0 N-CA-C 115.293 0.877 . . . . 1.0 115.293 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.0 tp -122.33 130.54 53.23 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 123.592 0.757 . . . . 1.0 110.908 -174.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.6 p -127.82 126.14 41.11 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 122.864 1.316 . . . . 1.0 112.62 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.3 tt -124.26 126.38 45.98 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 120.222 -1.549 . . . . 1.0 110.019 -175.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -112.43 109.61 53.64 Favored Pre-proline 0 C--N 1.349 0.55 0 N-CA-C 107.378 -1.341 . . . . 1.0 107.378 177.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.78 -29.84 34.86 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 122.576 2.184 . . . . 1.0 111.698 175.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.3 m -63.16 -41.21 99.22 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 125.02 1.328 . . . . 1.0 112.094 -178.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.9 m -101.18 -2.89 30.18 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 121.024 -1.048 . . . . 1.0 112.846 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 61.87 38.77 14.35 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 125.314 1.446 . . . . 1.0 114.428 -178.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.3 ttt180 -124.26 133.54 53.47 Favored 'General case' 0 N--CA 1.444 -0.742 0 O-C-N 121.49 -0.756 . . . . 1.0 112.494 -171.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.2 t -112.54 130.37 66.42 Favored 'Isoleucine or valine' 0 C--N 1.346 0.425 0 N-CA-C 107.123 -1.436 . . . . 1.0 107.123 172.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.8 mtp -124.82 146.65 49.15 Favored 'General case' 0 N--CA 1.443 -0.811 0 O-C-N 121.131 -0.98 . . . . 1.0 109.179 174.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.71 115.36 21.28 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 106.297 -1.742 . . . . 1.0 106.297 168.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.83 -129.71 35.89 Favored Glycine 0 C--N 1.349 1.279 0 O-C-N 121.532 -0.73 . . . . 1.0 112.399 -165.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -97.26 10.43 39.55 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 121.408 -1.054 . . . . 1.0 112.046 178.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -112.78 122.65 35.58 Favored Pre-proline 0 N--CA 1.445 -0.694 0 O-C-N 121.052 -1.03 . . . . 1.0 111.202 -172.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.93 145.67 32.01 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.771 2.314 . . . . 1.0 111.65 175.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.9 mt -103.47 159.6 15.45 Favored 'General case' 0 CA--C 1.512 -0.498 0 C-N-CA 124.049 0.94 . . . . 1.0 111.091 -178.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -119.24 126.22 51.0 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.852 0.834 . . . . 1.0 110.556 -177.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.0 ptp -159.5 171.37 19.8 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 107.161 -1.422 . . . . 1.0 107.161 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.66 173.02 43.28 Favored Glycine 0 C--N 1.352 1.431 0 O-C-N 120.761 -1.212 . . . . 1.0 113.165 175.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -63.11 -37.89 49.26 Favored 'Trans proline' 0 C--N 1.33 -0.422 0 C-N-CA 123.307 2.671 . . . . 1.0 114.526 -178.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.7 m -64.7 -41.61 95.89 Favored 'General case' 0 C--N 1.347 0.494 0 C-N-CA 123.98 0.912 . . . . 1.0 111.831 176.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -62.66 -42.01 99.38 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.769 -1.207 . . . . 1.0 112.639 171.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -59.71 -47.56 85.15 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 124.267 1.027 . . . . 1.0 112.955 175.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -63.84 -41.54 97.8 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 120.786 -1.196 . . . . 1.0 113.101 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.1 tp -62.02 -43.93 97.79 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 121.04 -1.037 . . . . 1.0 113.106 172.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.4 tp -63.8 -40.99 97.96 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.731 -1.231 . . . . 1.0 113.224 174.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -58.81 -44.67 90.87 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 120.526 -1.359 . . . . 1.0 112.192 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.58 -46.12 91.2 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 121.281 -0.887 . . . . 1.0 112.934 174.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -62.89 -42.17 99.68 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 115.035 1.495 . . . . 1.0 115.035 173.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 87.9 mtp -72.52 -19.33 61.54 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 119.522 -1.986 . . . . 1.0 114.048 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.0 t -98.59 6.64 46.93 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.769 -1.207 . . . . 1.0 111.197 170.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -141.64 62.66 15.41 Favored Pre-proline 0 C--N 1.356 0.868 0 O-C-N 120.362 -1.461 . . . . 1.0 113.861 170.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -77.3 155.23 32.61 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 123.159 2.573 . . . . 1.0 112.042 177.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 61.61 45.81 7.8 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 127.104 2.162 . . . . 1.0 113.729 177.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -150.33 140.59 22.23 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.445 -0.946 . . . . 1.0 108.445 172.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.4 t -84.94 137.22 21.21 Favored 'Isoleucine or valine' 0 C--N 1.346 0.451 0 CA-C-O 122.45 1.119 . . . . 1.0 110.428 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -125.95 126.31 44.15 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 106.751 -1.574 . . . . 1.0 106.751 173.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.9 p -64.21 158.65 22.57 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 121.451 -0.781 . . . . 1.0 111.589 169.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -58.6 -36.51 74.14 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 120.318 -1.489 . . . . 1.0 111.759 174.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -59.43 -43.44 93.1 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 113.929 1.085 . . . . 1.0 113.929 171.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -65.79 -42.51 90.64 Favored 'General case' 0 C--N 1.361 1.079 0 O-C-N 119.847 -1.783 . . . . 1.0 112.68 173.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.55 -42.19 98.46 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.967 -1.083 . . . . 1.0 112.594 176.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 58.6 mt -59.12 -48.9 79.91 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 121.332 -0.855 . . . . 1.0 112.812 171.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -62.0 -44.42 96.76 Favored 'General case' 0 C--N 1.346 0.451 0 O-C-N 120.906 -1.121 . . . . 1.0 113.615 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -72.29 -42.17 65.82 Favored 'General case' 0 C--N 1.347 0.463 0 N-CA-C 116.716 2.117 . . . . 1.0 116.716 177.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.3 t -104.39 -36.31 3.88 Favored 'Isoleucine or valine' 0 C--N 1.351 0.655 0 O-C-N 120.152 -1.592 . . . . 1.0 112.773 -167.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 10.2 m-90 -90.36 -41.17 11.65 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 120.803 -1.186 . . . . 1.0 109.843 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 125.34 162.01 11.2 Favored Glycine 0 C--N 1.346 1.122 0 CA-C-O 123.541 1.634 . . . . 1.0 113.816 -177.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.2 p -83.92 -20.21 33.36 Favored 'General case' 0 CA--C 1.514 -0.425 0 O-C-N 120.789 -1.418 . . . . 1.0 112.081 -177.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -100.58 22.32 12.0 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.337 1.055 . . . . 1.0 110.348 175.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.5 t -113.6 136.79 48.88 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.69 0 N-CA-C 107.391 -1.337 . . . . 1.0 107.391 177.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -125.93 9.0 7.48 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 122.953 1.358 . . . . 1.0 113.76 -149.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.9 m -53.12 154.69 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 128.352 2.661 . . . . 1.0 115.578 175.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -59.86 157.65 12.01 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 125.248 1.419 . . . . 1.0 113.166 165.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -62.31 -28.47 69.76 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 120.657 -1.277 . . . . 1.0 113.358 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -72.55 -17.94 61.67 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 120.623 -1.298 . . . . 1.0 114.115 -169.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.4 ' O ' ' HD2' ' A' ' 73' ' ' HIS . 10.9 t -70.43 -20.92 62.87 Favored 'General case' 0 C--N 1.354 0.792 0 O-C-N 119.728 -1.857 . . . . 1.0 112.418 172.193 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.0 t -64.42 -47.61 88.69 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 O-C-N 119.538 -1.976 . . . . 1.0 111.78 167.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.23 -44.0 92.35 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 124.929 1.292 . . . . 1.0 112.796 177.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 69.2 t -64.1 -43.71 97.52 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 C-N-CA 125.2 1.4 . . . . 1.0 113.178 175.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.4 ' HD2' ' O ' ' A' ' 69' ' ' THR . 86.5 m-70 -68.78 -34.68 75.96 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 119.598 -1.939 . . . . 1.0 112.938 175.274 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.8 mm -61.17 -41.28 88.86 Favored 'Isoleucine or valine' 0 C--N 1.35 0.618 0 O-C-N 120.307 -1.496 . . . . 1.0 112.858 170.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.8 ttt-85 -58.64 -44.39 90.06 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 120.493 -1.38 . . . . 1.0 113.027 173.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 68.2 mtt-85 -62.4 -42.28 99.31 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 124.623 1.169 . . . . 1.0 113.925 174.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.9 tp -62.81 -44.95 94.81 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.141 0.976 . . . . 1.0 113.089 176.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -59.22 -43.08 92.34 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.275 -1.515 . . . . 1.0 114.566 171.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -59.85 -39.07 83.94 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 121.001 -1.062 . . . . 1.0 113.731 178.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.21 -40.06 95.28 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 114.539 1.311 . . . . 1.0 114.539 171.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 66.7 mt -90.32 -11.03 41.93 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 119.906 -1.746 . . . . 1.0 112.813 -173.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -66.98 -41.72 37.65 Favored Pre-proline 0 C--N 1.344 0.359 0 N-CA-C 117.126 2.269 . . . . 1.0 117.126 -177.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -59.96 -34.47 95.08 Favored 'Trans proline' 0 CA--C 1.521 -0.163 0 CA-C-N 124.902 2.787 . . . . 1.0 114.956 176.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -86.15 -4.21 84.3 Favored Glycine 0 C--N 1.347 1.168 0 CA-C-N 119.074 0.852 . . . . 1.0 114.831 172.147 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 73.57 33.62 58.08 Favored Glycine 0 C--N 1.347 1.18 0 O-C-N 120.645 -1.503 . . . . 1.0 115.695 177.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -107.65 -6.16 17.05 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 120.871 -1.37 . . . . 1.0 112.087 178.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -56.1 -40.61 73.94 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 126.665 1.986 . . . . 1.0 115.127 175.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -70.37 -14.41 62.56 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 126.923 2.089 . . . . 1.0 114.387 -170.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -93.54 2.4 56.42 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 121.243 -0.911 . . . . 1.0 112.049 173.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.6 t -91.36 96.13 6.07 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 N-CA-C 107.09 -1.448 . . . . 1.0 107.09 164.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -97.77 156.16 16.7 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 120.785 -1.197 . . . . 1.0 111.765 -168.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 86.6 m -111.59 140.44 46.2 Favored 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 123.644 0.778 . . . . 1.0 109.953 -177.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.8 t -116.5 110.56 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 C-N-CA 124.765 1.226 . . . . 1.0 108.042 174.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 53.2 ttt-85 -58.37 127.15 30.68 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 125.789 1.636 . . . . 1.0 113.403 -176.065 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.21 3.98 90.56 Favored Glycine 0 C--N 1.349 1.256 0 C-N-CA 124.609 1.099 . . . . 1.0 114.085 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 96.2 m -139.7 -63.08 0.51 Allowed 'General case' 0 CA--C 1.51 -0.561 0 CA-C-N 118.556 1.178 . . . . 1.0 111.695 -171.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 169.68 -130.93 2.14 Favored Glycine 0 C--N 1.347 1.187 0 O-C-N 119.762 -1.836 . . . . 1.0 113.385 -172.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -145.93 164.92 30.49 Favored 'General case' 0 C--N 1.346 0.43 0 O-C-N 121.535 -0.98 . . . . 1.0 111.344 -165.002 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 70.3 ttt-85 -148.39 145.5 28.08 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 124.806 1.243 . . . . 1.0 109.002 -174.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -117.99 144.99 45.06 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 120.286 -1.509 . . . . 1.0 109.794 176.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.7 t -140.58 163.7 32.14 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 120.391 -1.443 . . . . 1.0 111.637 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 35.3 p . . . . . 0 CA--C 1.512 -0.507 0 C-N-CA 124.489 1.116 . . . . 1.0 109.299 169.599 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.9 mtm . . . . . 0 N--CA 1.497 1.91 0 N-CA-C 113.683 0.994 . . . . 1.0 113.683 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.74 -16.28 13.63 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 121.173 -0.954 . . . . 1.0 112.742 -176.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.0 p -62.18 136.68 25.18 Favored 'Isoleucine or valine' 0 C--N 1.348 0.535 0 O-C-N 120.411 -1.43 . . . . 1.0 111.802 169.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -76.18 155.3 34.66 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 120.263 -1.523 . . . . 1.0 112.6 -175.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -135.27 125.6 26.47 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 124.857 1.263 . . . . 1.0 109.094 -172.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.4 p -29.99 137.83 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 128.969 2.908 . . . . 1.0 117.033 164.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.5 mt -109.41 123.54 65.38 Favored 'Isoleucine or valine' 0 C--N 1.346 0.445 0 N-CA-C 106.274 -1.75 . . . . 1.0 106.274 173.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -127.71 117.28 21.63 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 121.161 -0.962 . . . . 1.0 110.979 177.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 18.5 ptm -147.59 134.35 20.03 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 120.734 -1.229 . . . . 1.0 109.781 -174.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 47.59 45.49 17.7 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 116.01 1.856 . . . . 1.0 116.01 177.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.77 5.85 86.69 Favored Glycine 0 C--N 1.348 1.242 0 O-C-N 120.041 -1.662 . . . . 1.0 115.864 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.9 tp -119.07 127.81 53.75 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 118.858 1.329 . . . . 1.0 109.047 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 87.9 p -124.33 128.82 49.67 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-O 122.488 1.137 . . . . 1.0 112.105 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.8 tt -125.26 126.54 45.31 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 120.473 -1.392 . . . . 1.0 109.11 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -109.86 110.9 58.99 Favored Pre-proline 0 N--CA 1.448 -0.535 0 O-C-N 121.1 -1.0 . . . . 1.0 108.392 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -66.52 -28.89 45.2 Favored 'Trans proline' 0 CA--C 1.511 -0.652 0 C-N-CA 122.691 2.261 . . . . 1.0 113.39 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.4 m -72.17 -45.04 62.04 Favored 'General case' 0 C--N 1.348 0.522 0 CA-C-O 122.003 0.906 . . . . 1.0 111.16 -177.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -89.83 -9.9 47.41 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 120.445 -1.409 . . . . 1.0 112.538 -174.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 35.8 m170 61.58 44.97 8.59 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 125.523 1.529 . . . . 1.0 111.627 -172.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -123.62 122.21 37.56 Favored 'General case' 0 N--CA 1.447 -0.605 0 O-C-N 121.555 -0.716 . . . . 1.0 111.234 -165.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.2 t -112.01 129.39 67.56 Favored 'Isoleucine or valine' 0 C--N 1.346 0.428 0 N-CA-C 107.146 -1.427 . . . . 1.0 107.146 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 46.5 mtp -135.27 145.53 47.65 Favored 'General case' 0 N--CA 1.446 -0.626 0 O-C-N 120.78 -1.2 . . . . 1.0 108.903 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.25 120.28 32.64 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 107.387 -1.338 . . . . 1.0 107.387 175.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.78 29.57 72.59 Favored Glycine 0 C--N 1.348 1.228 0 O-C-N 121.144 -0.972 . . . . 1.0 114.465 -175.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 63.27 34.72 13.05 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 126.781 2.032 . . . . 1.0 114.118 -173.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -130.53 129.99 22.87 Favored Pre-proline 0 N--CA 1.45 -0.444 0 N-CA-C 107.258 -1.386 . . . . 1.0 107.258 171.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -68.2 155.63 68.71 Favored 'Trans proline' 0 C--N 1.332 -0.328 0 C-N-CA 123.025 2.483 . . . . 1.0 115.165 -169.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.8 mt -124.79 155.94 38.55 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 106.676 -1.601 . . . . 1.0 106.676 169.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -126.8 133.27 50.84 Favored 'General case' 0 C--N 1.343 0.291 0 O-C-N 121.595 -0.691 . . . . 1.0 111.307 -169.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.9 ptp -160.71 158.44 28.72 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 122.173 0.987 . . . . 1.0 112.155 -178.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.96 174.56 43.23 Favored Glycine 0 C--N 1.349 1.256 0 C-N-CA 124.184 0.897 . . . . 1.0 115.098 175.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -78.77 -30.99 2.65 Favored 'Trans proline' 0 C--N 1.326 -0.654 0 C-N-CA 122.182 1.922 . . . . 1.0 112.879 -167.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.0 m -66.55 -39.41 88.52 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 120.303 1.411 . . . . 1.0 110.812 172.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -43.72 94.37 Favored 'General case' 0 C--N 1.348 0.539 0 C-N-CA 125.463 1.505 . . . . 1.0 111.893 174.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -61.07 -45.31 95.26 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 121.052 -1.03 . . . . 1.0 113.044 174.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -64.49 -41.29 96.55 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.503 -1.373 . . . . 1.0 113.711 178.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.6 tp -62.22 -43.14 99.5 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 120.584 -1.322 . . . . 1.0 113.02 172.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.4 tp -62.61 -42.44 99.58 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.845 -1.16 . . . . 1.0 113.299 173.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -60.62 -43.01 97.99 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 120.571 -1.331 . . . . 1.0 112.846 173.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -62.15 -46.02 90.84 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 120.749 -1.219 . . . . 1.0 112.816 173.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -64.43 -43.28 94.84 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.321 -1.487 . . . . 1.0 114.797 174.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 97.3 mtp -72.41 -20.86 61.35 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 119.667 -1.896 . . . . 1.0 113.667 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.2 p -84.99 -12.54 53.01 Favored 'General case' 0 C--N 1.345 0.405 0 O-C-N 120.351 -1.468 . . . . 1.0 111.533 170.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -133.2 62.76 62.96 Favored Pre-proline 0 C--N 1.35 0.63 0 N-CA-C 114.735 1.383 . . . . 1.0 114.735 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -74.22 149.72 41.08 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.621 2.214 . . . . 1.0 111.404 172.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.462 ' CD ' HH21 ' A' ' 99' ' ' ARG . 8.5 tp10 68.15 48.04 0.97 Allowed 'General case' 0 C--N 1.349 0.553 0 C-N-CA 125.971 1.708 . . . . 1.0 113.205 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -151.5 140.45 21.03 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 120.081 -1.637 . . . . 1.0 110.101 172.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.3 t -88.8 134.95 26.95 Favored 'Isoleucine or valine' 0 C--N 1.346 0.453 0 O-C-N 120.785 -1.197 . . . . 1.0 110.363 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -126.34 126.6 44.18 Favored 'General case' 0 CA--C 1.507 -0.697 0 C-N-CA 125.153 1.381 . . . . 1.0 108.802 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 81.9 p -74.0 164.44 26.63 Favored 'General case' 0 C--N 1.345 0.4 0 O-C-N 121.263 -0.898 . . . . 1.0 110.977 170.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -60.52 -32.87 71.88 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.291 -1.506 . . . . 1.0 112.483 177.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.56 -44.51 93.24 Favored 'General case' 0 C--N 1.35 0.593 0 N-CA-C 114.769 1.396 . . . . 1.0 114.769 170.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -65.31 -41.92 93.57 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.648 -1.282 . . . . 1.0 112.176 177.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.44 -41.78 98.98 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 121.249 -0.907 . . . . 1.0 112.836 174.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 66.2 mt -60.67 -47.4 86.43 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 120.496 -1.378 . . . . 1.0 113.94 173.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -64.36 -43.59 94.07 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 120.71 -1.244 . . . . 1.0 113.456 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -71.5 -48.31 49.79 Favored 'General case' 0 C--N 1.349 0.577 0 N-CA-C 115.961 1.838 . . . . 1.0 115.961 175.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.3 t -94.91 -53.33 8.43 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.499 0 O-C-N 119.65 -1.906 . . . . 1.0 111.85 -165.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 16.1 m-90 -71.66 -44.08 64.94 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 121.14 -0.975 . . . . 1.0 111.442 176.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 124.82 153.17 8.48 Favored Glycine 0 C--N 1.345 1.045 0 CA-C-O 122.472 1.04 . . . . 1.0 112.303 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 52.8 p -64.36 -43.25 95.12 Favored 'General case' 0 C--N 1.342 0.281 0 C-N-CA 125.766 1.626 . . . . 1.0 114.091 -176.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -101.84 7.26 41.72 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 120.679 -1.263 . . . . 1.0 110.545 -173.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.6 t -89.38 140.85 15.17 Favored 'Isoleucine or valine' 0 C--N 1.346 0.448 0 C-N-CA 125.628 1.571 . . . . 1.0 108.35 175.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -128.77 127.01 41.14 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 122.466 1.127 . . . . 1.0 112.878 -171.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.5 m -154.54 174.83 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.448 0 C-N-CA 127.58 2.352 . . . . 1.0 105.513 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -74.68 157.39 35.39 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 124.243 1.017 . . . . 1.0 112.371 169.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.19 -29.35 69.75 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 125.189 1.396 . . . . 1.0 112.218 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -88.04 6.02 38.14 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.698 -1.251 . . . . 1.0 112.517 -176.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.8 m -62.57 -36.36 82.45 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 119.816 -1.802 . . . . 1.0 111.447 156.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.4 t -61.68 -45.36 98.83 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 O-C-N 120.411 -1.43 . . . . 1.0 112.453 176.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.06 -46.23 79.02 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 126.165 1.786 . . . . 1.0 113.887 178.035 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 80.1 t -65.02 -42.15 93.92 Favored 'Isoleucine or valine' 0 C--N 1.346 0.444 0 C-N-CA 124.327 1.051 . . . . 1.0 112.114 175.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -68.24 -35.71 78.35 Favored 'General case' 0 C--N 1.345 0.372 0 O-C-N 119.998 -1.689 . . . . 1.0 113.879 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 9.7 mm -60.13 -42.26 89.43 Favored 'Isoleucine or valine' 0 C--N 1.348 0.501 0 O-C-N 120.604 -1.31 . . . . 1.0 112.083 170.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -61.38 -44.08 97.77 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 120.771 -1.206 . . . . 1.0 112.79 171.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.68 -41.5 97.65 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.839 -1.163 . . . . 1.0 113.889 175.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.7 tp -65.2 -45.45 84.73 Favored 'General case' 0 C--N 1.348 0.523 0 N-CA-C 113.565 0.95 . . . . 1.0 113.565 173.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -60.64 -44.23 96.62 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 119.926 -1.734 . . . . 1.0 113.539 172.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -58.59 -40.4 83.08 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 124.749 1.219 . . . . 1.0 112.698 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.65 -38.16 90.07 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 115.451 1.648 . . . . 1.0 115.451 173.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.8 mt -95.14 -9.81 32.43 Favored 'General case' 0 C--N 1.358 0.966 0 O-C-N 120.623 -1.298 . . . . 1.0 111.623 -174.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -60.1 -45.96 97.92 Favored Pre-proline 0 C--N 1.346 0.456 0 CA-C-O 116.491 -1.719 . . . . 1.0 115.546 177.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -76.56 -14.88 17.69 Favored 'Trans proline' 0 CA--C 1.515 -0.467 0 CA-C-N 125.181 2.886 . . . . 1.0 110.534 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -89.16 1.49 82.76 Favored Glycine 0 C--N 1.345 1.076 0 C-N-CA 124.696 1.141 . . . . 1.0 113.322 171.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 74.57 15.16 80.64 Favored Glycine 0 C--N 1.351 1.378 0 CA-C-N 118.664 1.232 . . . . 1.0 115.65 174.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -122.11 9.0 9.83 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 121.071 -1.252 . . . . 1.0 114.235 -169.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -54.83 -35.38 63.89 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 115.374 1.62 . . . . 1.0 115.374 169.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.5 ptt-85 -69.76 -13.65 62.39 Favored 'General case' 0 C--N 1.349 0.569 0 N-CA-C 116.131 1.9 . . . . 1.0 116.131 -174.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 58.9 mtp -66.03 -36.25 82.75 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 120.681 -1.262 . . . . 1.0 113.089 168.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 56.3 t -80.42 98.06 3.38 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 C-N-CA 126.753 2.021 . . . . 1.0 110.418 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -114.67 161.07 18.6 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 124.521 1.129 . . . . 1.0 112.536 -168.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.1 m -116.71 131.09 57.04 Favored 'General case' 0 CA--C 1.508 -0.643 0 C-N-CA 124.252 1.021 . . . . 1.0 111.718 -168.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.0 t -110.25 103.03 14.84 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 N-CA-C 107.353 -1.351 . . . . 1.0 107.353 174.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.15 128.67 36.9 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.71 -1.244 . . . . 1.0 113.039 -176.137 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.45 5.61 89.39 Favored Glycine 0 C--N 1.351 1.371 0 C-N-CA 124.137 0.875 . . . . 1.0 114.438 -178.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 57.3 m -139.93 -60.18 0.54 Allowed 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 118.2 1.0 . . . . 1.0 110.884 -178.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 170.16 -133.43 2.81 Favored Glycine 0 C--N 1.349 1.274 0 O-C-N 119.879 -1.763 . . . . 1.0 113.582 -173.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -139.23 163.1 33.34 Favored 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 121.699 -0.883 . . . . 1.0 109.809 -170.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.462 HH21 ' CD ' ' A' ' 46' ' ' GLU . 56.7 ttt-85 -146.37 150.29 35.4 Favored 'General case' 0 C--N 1.347 0.48 0 N-CA-C 107.947 -1.131 . . . . 1.0 107.947 -177.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -118.39 139.89 50.69 Favored 'General case' 0 C--N 1.348 0.534 0 O-C-N 120.405 -1.434 . . . . 1.0 107.77 176.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.7 t -150.53 147.19 27.17 Favored 'General case' 0 CA--C 1.509 -0.628 0 O-C-N 120.662 -1.274 . . . . 1.0 109.766 -171.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.5 p -62.0 -37.97 86.83 Favored 'General case' 0 C--N 1.346 0.416 0 N-CA-C 113.781 1.03 . . . . 1.0 113.781 173.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -153.45 -62.45 0.14 Allowed 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 123.18 0.592 . . . . 1.0 110.69 177.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 29.2 t80 . . . . . 0 C--O 1.261 1.671 0 C-N-CA 124.918 1.287 . . . . 1.0 111.214 -170.602 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.568 0 O5'-C5'-C4' 113.556 2.397 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.549 4.739 0 O5'-C5'-C4' 113.364 2.26 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.461 0 O5'-C5'-C4' 113.145 2.104 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.426 0 C5'-C4'-C3' 120.101 3.6 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 4 C3'--C2' 1.24 -27.81 6 O4'-C1'-C2' 94.435 -10.604 . . . . 1.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.562 -3.716 0 OP1-P-OP2 115.269 -2.888 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.354 0 OP1-P-OP2 115.923 -2.451 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.814 0 O4'-C1'-C2' 102.868 -2.938 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.251 0 OP1-P-OP2 116.339 -2.174 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.094 0 P-O3'-C3' 122.919 2.682 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.569 -3.146 0 P-O3'-C3' 123.978 3.565 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.407 0 OP1-P-OP2 115.492 -2.739 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.39 0 OP1-P-OP2 116.903 -1.798 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.406 0 OP1-P-OP2 116.0 -2.4 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.44 0 OP1-P-OP2 116.887 -1.809 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.574 -2.75 0 P-O5'-C5' 117.614 -2.054 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.715 0 O5'-C5'-C4' 114.553 3.109 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.553 0 P-O5'-C5' 117.657 -2.027 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.57 -3.087 0 P-O3'-C3' 122.695 2.496 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.464 0 OP1-P-OP2 116.109 -2.327 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.673 0 OP1-P-OP2 116.466 -2.09 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.447 0 OP1-P-OP2 115.666 -2.623 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.564 -3.602 1 P-O3'-C3' 125.656 4.963 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.557 -4.146 0 OP1-P-OP2 115.851 -2.499 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.674 0 O5'-C5'-C4' 114.278 2.913 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.571 -2.985 0 P-O5'-C5' 116.699 -2.625 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.569 -3.134 0 OP1-P-OP2 115.637 -2.642 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.572 -2.891 0 P-O5'-C5' 115.413 -3.429 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.562 -3.087 0 OP1-P-OP2 116.523 -2.052 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.5 0 P-O3'-C3' 123.575 3.229 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.454 0 OP1-P-OP2 115.904 -2.464 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.985 0 OP1-P-OP2 116.017 -2.389 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.1 mtt . . . . . 0 N--CA 1.487 1.404 0 N-CA-C 114.765 1.394 . . . . 1.0 114.765 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.98 -10.89 13.46 Favored 'General case' 0 N--CA 1.447 -0.578 0 O-C-N 120.972 -1.08 . . . . 1.0 113.697 -177.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.8 m -101.95 -4.39 9.32 Favored 'Isoleucine or valine' 0 C--N 1.349 0.563 0 O-C-N 120.73 -1.231 . . . . 1.0 112.949 -171.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -59.65 150.35 27.79 Favored 'General case' 0 C--N 1.346 0.444 0 C-N-CA 126.063 1.745 . . . . 1.0 113.151 166.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -91.97 1.7 57.02 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 119.463 -2.023 . . . . 1.0 113.188 -171.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 p -146.94 138.84 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 104.509 -2.404 . . . . 1.0 104.509 163.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.0 mt -116.11 124.13 72.08 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 N-CA-C 106.938 -1.504 . . . . 1.0 106.938 -178.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -124.21 120.61 32.77 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-O 122.432 1.11 . . . . 1.0 111.549 -173.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 47.3 mtt -133.68 124.33 26.55 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.865 1.266 . . . . 1.0 109.038 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 59.66 32.62 21.61 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 115.387 1.625 . . . . 1.0 115.387 167.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.42 3.87 90.55 Favored Glycine 0 C--N 1.352 1.441 0 O-C-N 120.078 -1.639 . . . . 1.0 115.839 -172.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.9 tp -112.24 124.84 53.32 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.896 1.278 . . . . 1.0 108.426 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.6 p -125.98 136.13 52.64 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 120.521 -1.362 . . . . 1.0 113.292 -177.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 tt -123.71 130.7 53.04 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 125.502 1.521 . . . . 1.0 110.459 -173.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -117.02 114.27 39.15 Favored Pre-proline 0 C--O 1.238 0.468 0 N-CA-C 107.29 -1.374 . . . . 1.0 107.29 177.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -65.29 -31.48 52.96 Favored 'Trans proline' 0 CA--C 1.513 -0.548 0 C-N-CA 122.666 2.244 . . . . 1.0 114.742 -178.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.9 m -73.88 -45.07 53.15 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 122.211 1.005 . . . . 1.0 110.335 -176.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.8 t -79.46 -17.27 54.58 Favored 'General case' 0 C--N 1.345 0.377 0 O-C-N 120.666 -1.271 . . . . 1.0 112.89 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.5 m170 63.54 36.78 10.88 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 125.599 1.56 . . . . 1.0 112.273 -173.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -117.49 126.0 51.85 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 121.393 -0.817 . . . . 1.0 111.021 -165.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.5 t -112.17 117.1 54.37 Favored 'Isoleucine or valine' 0 C--N 1.347 0.493 0 C-N-CA 124.738 1.215 . . . . 1.0 107.84 176.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 13.4 tpt -119.78 125.17 47.93 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 120.852 -1.155 . . . . 1.0 109.267 -172.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.98 107.71 16.04 Favored 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 120.384 -1.448 . . . . 1.0 108.639 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.19 -105.68 0.52 Allowed Glycine 0 C--N 1.351 1.385 0 O-C-N 120.577 -1.327 . . . . 1.0 114.217 -172.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.4 8.27 35.73 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.319 1.448 . . . . 1.0 113.266 176.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -119.19 126.41 27.06 Favored Pre-proline 0 C--N 1.349 0.58 0 O-C-N 120.194 -1.566 . . . . 1.0 113.611 -169.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -92.15 119.66 0.5 Allowed 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 121.795 1.663 . . . . 1.0 110.007 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.8 mt -84.85 165.23 17.89 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 124.197 0.999 . . . . 1.0 113.165 -172.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -127.55 126.93 43.06 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 121.194 -0.941 . . . . 1.0 111.288 -175.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.6 ptp -158.44 162.19 37.53 Favored 'General case' 0 N--CA 1.447 -0.583 0 O-C-N 121.517 -0.739 . . . . 1.0 110.27 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.8 157.02 52.43 Favored Glycine 0 C--N 1.352 1.425 0 O-C-N 120.66 -1.275 . . . . 1.0 113.952 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -49.61 -44.65 34.61 Favored 'Trans proline' 0 C--N 1.33 -0.42 0 C-N-CA 124.657 3.571 . . . . 1.0 115.353 170.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 89.8 m -61.67 -40.12 93.83 Favored 'General case' 0 C--N 1.348 0.5 0 C-N-CA 124.511 1.124 . . . . 1.0 112.275 175.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -63.5 -40.84 98.11 Favored 'General case' 0 C--N 1.354 0.788 0 O-C-N 120.31 -1.494 . . . . 1.0 113.072 170.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -60.82 -46.45 90.47 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 121.002 -1.061 . . . . 1.0 112.82 175.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -62.12 -41.17 97.98 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.781 -1.2 . . . . 1.0 112.446 175.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.4 tp -62.45 -45.04 94.89 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 120.704 -1.247 . . . . 1.0 113.341 174.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.8 tp -64.12 -39.6 94.39 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 120.748 -1.22 . . . . 1.0 113.171 174.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -60.14 -43.2 95.9 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.468 -1.395 . . . . 1.0 112.853 172.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -62.62 -43.95 97.52 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.815 -1.178 . . . . 1.0 112.681 172.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -61.58 -44.16 97.54 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 120.176 -1.578 . . . . 1.0 114.811 173.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 96.9 mtp -78.26 -13.14 59.98 Favored 'General case' 0 C--N 1.346 0.418 0 O-C-N 119.396 -2.065 . . . . 1.0 113.733 -178.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.5 p -93.99 -4.55 49.44 Favored 'General case' 0 C--N 1.345 0.389 0 O-C-N 120.388 -1.445 . . . . 1.0 110.767 169.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -144.97 65.4 12.04 Favored Pre-proline 0 C--N 1.353 0.738 0 N-CA-C 114.633 1.346 . . . . 1.0 114.633 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -74.76 149.0 37.25 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 123.1 2.533 . . . . 1.0 112.372 173.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . 0.286 23.5 mt-10 59.95 47.61 9.7 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 128.877 2.871 . . . . 1.0 116.441 176.073 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.9 mmt180 -137.31 164.6 28.18 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 105.854 -1.906 . . . . 1.0 105.854 168.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.2 t -113.97 133.76 58.95 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 N-CA-C 108.885 -0.783 . . . . 1.0 108.885 -177.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -126.7 129.3 48.15 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 124.485 1.114 . . . . 1.0 108.922 -178.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.9 p -72.21 164.3 26.47 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.988 0.899 . . . . 1.0 111.829 169.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -59.76 -35.83 75.4 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 120.581 -1.324 . . . . 1.0 112.467 174.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 57.8 mp0 -60.86 -42.09 97.17 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 120.496 -1.377 . . . . 1.0 114.365 169.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -72.82 -33.43 66.18 Favored 'General case' 0 C--O 1.275 2.441 0 CA-C-N 121.156 1.798 . . . . 1.0 110.693 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 1.602 ' CA ' ' CB ' ' A' ' 54' ' ' LEU 0.804 21.2 mt -85.73 -16.26 39.52 Favored 'General case' 2 CA--C 1.643 4.523 1 CA-C-O 105.682 -6.866 . . . . 1.0 104.153 -179.718 . . . . . . . . 5 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . 0.278 45.8 mt -74.54 -32.13 62.35 Favored 'General case' 0 N--CA 1.39 -3.429 1 CA-C-N 129.771 5.714 . . . . 1.0 112.774 166.434 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -66.23 -43.06 87.71 Favored 'General case' 0 N--CA 1.425 -1.677 0 N-CA-C 114.128 1.159 . . . . 1.0 114.128 173.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -90.37 -25.16 20.57 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 115.472 1.656 . . . . 1.0 115.472 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 99.4 t -105.78 -62.19 2.22 Favored 'Isoleucine or valine' 0 C--N 1.348 0.539 0 O-C-N 120.868 -1.145 . . . . 1.0 111.169 -173.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 7.5 m-90 -65.98 -42.19 90.17 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 124.194 0.998 . . . . 1.0 112.418 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 110.22 174.49 20.6 Favored Glycine 0 C--N 1.345 1.081 0 CA-C-O 122.889 1.271 . . . . 1.0 112.59 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.0 p -98.32 0.05 44.79 Favored 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 120.833 -1.392 . . . . 1.0 111.813 -168.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -94.51 7.71 44.68 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 125.64 1.576 . . . . 1.0 110.077 172.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.0 t -117.76 136.61 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-O 123.145 1.45 . . . . 1.0 109.662 -171.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -135.7 6.06 3.18 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.053 -1.43 . . . . 1.0 114.007 -155.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.6 m -47.92 168.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 129.021 2.929 . . . . 1.0 117.45 175.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -80.38 170.74 15.98 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.573 -1.33 . . . . 1.0 110.109 173.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -74.74 -19.89 60.05 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 119.592 -1.943 . . . . 1.0 111.464 -171.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.61 -6.31 57.6 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.197 -1.564 . . . . 1.0 114.52 -169.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.3 t -72.81 -18.97 61.41 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 119.85 -1.781 . . . . 1.0 111.36 164.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.3 t -64.66 -48.87 82.91 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 O-C-N 119.737 -1.852 . . . . 1.0 111.625 164.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -58.7 -44.39 90.3 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 120.977 -1.077 . . . . 1.0 112.933 177.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.19 -46.19 96.5 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 C-N-CA 124.728 1.211 . . . . 1.0 112.813 175.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -70.72 -29.41 65.68 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 119.23 -2.168 . . . . 1.0 112.928 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.8 mm -60.93 -42.91 94.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.703 0 O-C-N 120.224 -1.547 . . . . 1.0 112.062 170.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -60.34 -43.84 96.08 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 120.715 -1.241 . . . . 1.0 112.191 170.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 52.5 mtp85 -62.12 -37.84 86.66 Favored 'General case' 0 C--N 1.344 0.348 0 O-C-N 120.639 -1.288 . . . . 1.0 114.172 175.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 37.7 tp -65.6 -45.65 82.35 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 120.611 -1.306 . . . . 1.0 113.285 172.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -59.23 -43.17 92.36 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.042 -1.661 . . . . 1.0 114.101 170.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -59.9 -42.03 92.96 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.718 -1.239 . . . . 1.0 113.194 175.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.15 -38.86 92.59 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 114.971 1.471 . . . . 1.0 114.971 174.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.7 mt -93.29 -3.53 53.4 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 120.454 -1.404 . . . . 1.0 111.212 -174.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -62.47 -47.89 87.87 Favored Pre-proline 0 C--N 1.351 0.655 0 CA-C-O 116.69 -1.624 . . . . 1.0 114.885 174.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -77.87 -15.13 15.15 Favored 'Trans proline' 0 CA--C 1.515 -0.459 0 CA-C-N 124.681 2.708 . . . . 1.0 110.188 176.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -83.91 -0.99 89.88 Favored Glycine 0 C--N 1.345 1.067 0 C-N-CA 125.007 1.289 . . . . 1.0 113.888 172.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.79 25.17 71.71 Favored Glycine 0 C--N 1.352 1.418 0 N-CA-C 116.237 1.255 . . . . 1.0 116.237 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -134.54 9.29 3.67 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 121.191 -1.182 . . . . 1.0 114.073 -172.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -52.8 -33.76 50.39 Favored 'General case' 0 C--N 1.35 0.594 0 N-CA-C 115.325 1.602 . . . . 1.0 115.325 172.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.4 ptm85 -58.28 -28.16 64.71 Favored 'General case' 0 C--N 1.35 0.591 0 N-CA-C 116.128 1.899 . . . . 1.0 116.128 -177.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 44.8 mtm -71.64 -15.77 62.24 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.493 -1.38 . . . . 1.0 114.723 -174.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.2 t -84.71 108.36 16.7 Favored 'Isoleucine or valine' 0 C--N 1.35 0.596 0 O-C-N 120.986 -1.071 . . . . 1.0 109.272 173.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -104.32 156.72 17.68 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.682 1.193 . . . . 1.0 110.888 -176.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 85.5 m -119.27 132.54 55.92 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 122.4 1.095 . . . . 1.0 109.799 -174.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.0 t -113.61 105.1 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 N-CA-C 107.928 -1.138 . . . . 1.0 107.928 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 43.4 ttt85 -55.67 121.81 9.98 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 125.521 1.528 . . . . 1.0 113.504 -176.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.06 -0.47 79.03 Favored Glycine 0 C--N 1.349 1.266 0 C-N-CA 125.554 1.55 . . . . 1.0 114.577 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 26.2 m -126.54 -46.14 1.61 Allowed 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 118.61 1.205 . . . . 1.0 111.189 -174.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 155.91 -139.89 6.9 Favored Glycine 0 C--N 1.35 1.354 0 O-C-N 119.733 -1.854 . . . . 1.0 113.192 -176.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -134.56 162.83 31.17 Favored 'General case' 0 C--N 1.344 0.35 0 O-C-N 121.584 -0.951 . . . . 1.0 110.352 -172.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 21.8 ttt85 -143.02 149.29 38.08 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 125.395 1.478 . . . . 1.0 108.19 -174.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -120.66 135.36 55.14 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 120.473 -1.392 . . . . 1.0 108.884 176.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.5 t -145.4 125.69 13.88 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.633 -1.292 . . . . 1.0 111.352 -176.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.5 p -64.07 -41.55 97.3 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 124.385 1.074 . . . . 1.0 113.78 177.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.1 ptt85 -94.02 11.47 29.65 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.482 1.113 . . . . 1.0 113.126 -169.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 49.6 t80 . . . . . 0 C--O 1.259 1.588 0 O-C-N 120.812 -1.18 . . . . 1.0 110.725 173.629 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.972 0 O5'-C5'-C4' 114.805 3.289 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.566 -3.444 0 P-O3'-C3' 123.766 3.388 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.574 -2.77 0 P-O5'-C5' 116.793 -2.567 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.567 -3.333 0 P-O5'-C5' 114.953 -3.717 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.565 -3.504 0 OP1-P-OP2 116.636 -1.976 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.151 0 OP1-P-OP2 116.469 -2.087 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.226 0 OP1-P-OP2 116.271 -2.22 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.41 0 O4'-C1'-C2' 103.491 -2.372 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.102 0 OP1-P-OP2 117.151 -1.633 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.116 0 OP1-P-OP2 116.622 -1.986 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.008 0 P-O3'-C3' 123.749 3.374 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.762 0 OP1-P-OP2 115.592 -2.672 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.748 0 OP1-P-OP2 116.015 -2.39 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.526 0 OP1-P-OP2 116.486 -2.076 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.507 0 OP1-P-OP2 116.427 -2.115 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.018 0 OP1-P-OP2 115.69 -2.606 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.861 0 O5'-C5'-C4' 114.645 3.175 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.748 0 OP1-P-OP2 114.911 -3.126 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.32 0 OP1-P-OP2 116.238 -2.241 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.564 -2.908 0 OP1-P-OP2 116.766 -1.89 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.564 -3.555 1 P-O3'-C3' 124.601 4.084 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.572 -2.898 0 O4'-C1'-C2' 103.871 -2.026 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.573 -2.837 0 OP1-P-OP2 115.669 -2.62 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.568 -3.275 0 P-O5'-C5' 116.363 -2.835 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.409 0 P-O3'-C3' 124.058 3.631 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.574 -2.754 0 O4'-C1'-C2' 102.168 -3.575 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.559 -3.984 0 P-O3'-C3' 123.557 3.214 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.566 -3.413 0 P-O3'-C3' 123.705 3.338 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.572 -2.934 0 OP1-P-OP2 116.676 -1.949 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.703 0 P-O3'-C3' 123.546 3.205 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.707 0 OP1-P-OP2 116.541 -2.039 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.032 0 O4'-C1'-C2' 102.722 -3.071 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.5 mtm . . . . . 0 N--CA 1.493 1.688 0 N-CA-C 112.076 0.399 . . . . 1.0 112.076 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 57.94 40.02 26.07 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 125.963 1.705 . . . . 1.0 114.667 176.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.4 p -100.17 -8.41 9.05 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 C-N-CA 124.925 1.29 . . . . 1.0 110.134 -175.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -157.97 166.49 32.45 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 106.941 -1.503 . . . . 1.0 106.941 168.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -85.46 -32.95 22.01 Favored 'General case' 0 CA--C 1.515 -0.393 0 O-C-N 119.874 -1.766 . . . . 1.0 112.16 -177.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.9 m -63.11 152.21 7.76 Favored 'Isoleucine or valine' 0 C--N 1.346 0.429 0 N-CA-C 115.603 1.705 . . . . 1.0 115.603 178.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 75.5 mt -117.04 121.33 67.53 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 N-CA-C 106.582 -1.636 . . . . 1.0 106.582 162.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -123.86 122.74 38.81 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 125.134 1.374 . . . . 1.0 111.094 -176.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 16.8 ptp -150.62 139.59 20.98 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 121.123 -0.986 . . . . 1.0 110.441 174.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 51.39 38.34 21.53 Favored 'General case' 0 C--N 1.348 0.522 0 C-N-CA 126.559 1.944 . . . . 1.0 116.061 176.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.04 3.59 90.65 Favored Glycine 0 C--N 1.349 1.261 0 O-C-N 120.602 -1.311 . . . . 1.0 114.914 -178.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.8 tp -114.27 128.27 56.28 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 124.722 1.209 . . . . 1.0 108.46 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.6 t -133.0 134.07 43.98 Favored 'General case' 0 CA--C 1.512 -0.492 0 O-C-N 120.736 -1.228 . . . . 1.0 110.702 -175.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 tt -127.76 133.99 49.5 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.434 1.494 . . . . 1.0 109.872 -173.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -116.54 113.25 40.69 Favored Pre-proline 0 C--N 1.348 0.529 0 O-C-N 121.201 -0.937 . . . . 1.0 109.033 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -61.68 -36.09 76.78 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 123.211 2.607 . . . . 1.0 113.728 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.2 m -66.29 -43.43 86.34 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 123.83 0.852 . . . . 1.0 112.856 -173.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.1 p -100.31 -2.6 33.23 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 121.059 -1.026 . . . . 1.0 112.917 -176.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 68.66 26.63 6.2 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 126.185 1.794 . . . . 1.0 113.961 175.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -121.08 134.76 55.27 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 121.689 -0.632 . . . . 1.0 112.13 -164.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.8 t -116.54 128.28 73.93 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 C-N-CA 125.332 1.453 . . . . 1.0 109.984 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 96.8 mmm -118.78 140.45 49.93 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.338 1.455 . . . . 1.0 110.651 -175.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.87 106.45 12.07 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 121.211 -0.931 . . . . 1.0 108.63 168.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.91 -121.44 25.07 Favored Glycine 0 C--N 1.348 1.211 0 O-C-N 119.602 -1.937 . . . . 1.0 112.701 -160.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -98.51 3.09 48.14 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 121.285 -1.126 . . . . 1.0 111.779 174.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -85.53 124.62 71.18 Favored Pre-proline 0 C--N 1.35 0.626 0 C-N-CA 124.987 1.315 . . . . 1.0 111.687 -177.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -93.44 122.44 0.45 Allowed 'Trans proline' 0 N--CA 1.458 -0.566 0 CA-C-N 121.802 1.679 . . . . 1.0 111.001 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.4 mt -92.64 165.19 13.1 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.691 0.796 . . . . 1.0 111.298 -175.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -131.1 133.86 46.04 Favored 'General case' 0 C--N 1.345 0.392 0 O-C-N 120.951 -1.093 . . . . 1.0 111.466 -176.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 22.6 ptp -154.16 174.07 15.24 Favored 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 121.134 -0.979 . . . . 1.0 109.895 176.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -86.98 169.1 39.87 Favored Glycine 0 C--N 1.353 1.493 0 O-C-N 120.844 -1.16 . . . . 1.0 111.993 175.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -69.94 -30.41 21.49 Favored 'Trans proline' 0 C--N 1.324 -0.724 0 C-N-CA 122.985 2.457 . . . . 1.0 112.411 -173.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.2 m -67.26 -42.45 83.87 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 119.196 0.907 . . . . 1.0 112.183 172.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.4 -42.56 98.92 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 120.913 -1.117 . . . . 1.0 111.716 172.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -60.44 -46.76 88.88 Favored 'General case' 0 C--N 1.351 0.647 0 C-N-CA 123.974 0.91 . . . . 1.0 113.32 175.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -64.29 -40.1 95.26 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 120.291 -1.505 . . . . 1.0 113.332 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.8 tp -63.48 -44.64 93.82 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 124.817 1.247 . . . . 1.0 112.972 171.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.4 tp -62.54 -40.16 95.89 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 120.876 -1.14 . . . . 1.0 112.643 175.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -58.17 -40.74 82.22 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 120.431 -1.418 . . . . 1.0 112.838 172.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -64.99 -43.05 93.84 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.783 -1.198 . . . . 1.0 113.262 172.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -62.89 -43.17 99.52 Favored 'General case' 0 C--N 1.347 0.491 0 O-C-N 120.43 -1.418 . . . . 1.0 114.584 173.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 62.5 mmm -61.55 -32.31 72.37 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 120.503 -1.373 . . . . 1.0 113.407 177.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.5 p -87.41 -3.47 59.02 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 120.247 -1.533 . . . . 1.0 113.067 173.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 65.2 m80 -140.44 64.87 25.42 Favored Pre-proline 0 C--N 1.354 0.772 0 O-C-N 120.221 -1.549 . . . . 1.0 114.332 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -75.75 156.88 39.77 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.965 2.443 . . . . 1.0 112.887 176.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.406 ' CD ' HH21 ' A' ' 99' ' ' ARG . 5.9 mm-40 62.34 39.55 12.12 Favored 'General case' 0 C--N 1.348 0.537 0 C-N-CA 126.586 1.955 . . . . 1.0 115.115 169.168 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -151.75 146.03 25.44 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.053 -1.091 . . . . 1.0 108.053 177.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.9 t -92.14 133.33 33.91 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 O-C-N 120.381 -1.45 . . . . 1.0 111.279 -172.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -123.8 127.77 48.57 Favored 'General case' 0 CA--C 1.507 -0.687 0 C-N-CA 125.082 1.353 . . . . 1.0 107.886 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 86.0 p -72.3 162.88 28.85 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 122.075 0.94 . . . . 1.0 111.01 171.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 74.8 mtt85 -60.14 -35.97 76.49 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 120.628 -1.295 . . . . 1.0 111.623 175.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -60.02 -43.57 95.16 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 114.354 1.242 . . . . 1.0 114.354 171.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -64.86 -43.75 91.99 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 119.986 -1.697 . . . . 1.0 111.822 175.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.01 -42.61 99.34 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.94 -1.1 . . . . 1.0 113.441 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.1 mt -61.73 -47.97 82.84 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 120.214 -1.554 . . . . 1.0 114.613 176.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -68.98 -40.91 78.52 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 120.693 -1.254 . . . . 1.0 113.79 177.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -67.82 -42.19 81.89 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 115.56 1.689 . . . . 1.0 115.56 174.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.3 t -99.86 -60.54 2.73 Favored 'Isoleucine or valine' 0 C--N 1.35 0.609 0 O-C-N 120.079 -1.638 . . . . 1.0 111.792 -170.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 8.4 m-90 -67.55 -43.04 81.67 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 121.012 -1.055 . . . . 1.0 112.147 -177.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 130.91 158.76 9.35 Favored Glycine 0 C--N 1.345 1.067 0 CA-C-O 122.928 1.293 . . . . 1.0 113.264 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 36.8 p -82.65 -20.17 36.8 Favored 'General case' 0 CA--C 1.515 -0.368 0 O-C-N 120.778 -1.424 . . . . 1.0 114.152 -172.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -115.46 15.19 16.76 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-O 122.532 1.158 . . . . 1.0 110.099 178.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.8 t -92.85 142.71 12.77 Favored 'Isoleucine or valine' 0 C--N 1.345 0.387 0 C-N-CA 124.895 1.278 . . . . 1.0 109.086 174.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -127.3 119.21 25.78 Favored 'General case' 0 C--N 1.342 0.273 0 O-C-N 120.726 -1.234 . . . . 1.0 111.907 -172.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.7 m -153.31 166.04 1.45 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.466 0 C-N-CA 126.007 1.723 . . . . 1.0 106.613 175.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -68.43 155.81 39.13 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 124.28 1.032 . . . . 1.0 112.171 173.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -57.84 -31.71 66.92 Favored 'General case' 0 C--N 1.346 0.44 0 C-N-CA 125.006 1.322 . . . . 1.0 111.785 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -89.48 5.96 43.05 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.656 1.182 . . . . 1.0 113.472 -174.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.4 m -74.85 -21.22 59.39 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 119.676 -1.89 . . . . 1.0 110.648 165.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.4 t -64.31 -47.27 90.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 O-C-N 120.194 -1.566 . . . . 1.0 112.189 167.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.2 -43.82 87.8 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 125.981 1.712 . . . . 1.0 113.256 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.81 -42.63 96.52 Favored 'Isoleucine or valine' 0 C--N 1.349 0.548 0 C-N-CA 124.59 1.156 . . . . 1.0 112.447 173.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -69.62 -31.81 70.15 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 119.249 -2.157 . . . . 1.0 113.922 174.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.1 mm -61.8 -42.76 95.72 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 O-C-N 120.676 -1.265 . . . . 1.0 111.928 169.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -60.08 -45.94 91.21 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 121.007 -1.058 . . . . 1.0 112.515 171.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -62.12 -41.56 98.35 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 120.784 -1.197 . . . . 1.0 113.401 174.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.2 tp -62.88 -44.15 96.87 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 120.371 -1.456 . . . . 1.0 113.831 174.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -61.37 -44.19 97.58 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 119.971 -1.706 . . . . 1.0 113.314 171.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -60.76 -40.85 94.01 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 120.942 -1.099 . . . . 1.0 113.176 175.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.92 94.08 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 114.91 1.448 . . . . 1.0 114.91 174.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.0 mt -96.74 -6.35 36.49 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 120.644 -1.285 . . . . 1.0 112.349 -172.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -63.81 -43.66 77.01 Favored Pre-proline 0 C--N 1.351 0.652 0 N-CA-C 114.922 1.453 . . . . 1.0 114.922 174.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -60.19 -26.22 82.0 Favored 'Trans proline' 0 CA--C 1.516 -0.416 0 CA-C-N 124.158 2.521 . . . . 1.0 114.212 170.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -90.78 -0.24 75.54 Favored Glycine 0 C--N 1.348 1.204 0 C-N-CA 124.592 1.091 . . . . 1.0 113.971 174.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.95 28.27 73.73 Favored Glycine 0 C--N 1.347 1.163 0 N-CA-C 117.235 1.654 . . . . 1.0 117.235 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -130.31 17.41 5.46 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 121.242 -1.152 . . . . 1.0 113.621 -176.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -55.12 -40.45 70.52 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 126.78 2.032 . . . . 1.0 114.51 169.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -71.74 -14.74 62.1 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 126.979 2.112 . . . . 1.0 114.388 -170.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 79.4 mtp -62.05 -34.93 77.17 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 120.508 -1.37 . . . . 1.0 112.694 169.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.7 t -74.77 105.65 3.97 Favored 'Isoleucine or valine' 0 C--N 1.351 0.671 0 C-N-CA 124.049 0.94 . . . . 1.0 110.56 174.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -113.7 156.01 24.53 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 126.142 1.777 . . . . 1.0 110.791 -171.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 53.4 m -118.56 132.64 56.2 Favored 'General case' 0 CA--C 1.51 -0.576 0 O-C-N 121.233 -0.917 . . . . 1.0 111.159 -169.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 92.6 t -117.22 112.76 40.41 Favored 'Isoleucine or valine' 0 C--N 1.348 0.519 0 C-N-CA 125.055 1.342 . . . . 1.0 108.55 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.6 ttt85 -60.4 121.06 11.12 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 120.642 -1.286 . . . . 1.0 113.44 -175.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.65 -3.47 78.71 Favored Glycine 0 C--N 1.347 1.166 0 C-N-CA 125.199 1.381 . . . . 1.0 114.653 172.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 53.2 m -126.42 -33.78 2.54 Favored 'General case' 0 CA--C 1.515 -0.382 0 O-C-N 121.029 -1.277 . . . . 1.0 110.521 -178.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 147.84 -137.28 6.44 Favored Glycine 0 C--N 1.355 1.614 0 O-C-N 119.632 -1.917 . . . . 1.0 114.553 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -133.7 162.49 31.81 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 121.702 -0.881 . . . . 1.0 110.264 -172.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.406 HH21 ' CD ' ' A' ' 46' ' ' GLU . 57.5 ttt180 -143.41 142.94 31.42 Favored 'General case' 0 C--N 1.347 0.472 0 C-N-CA 124.953 1.301 . . . . 1.0 107.645 -174.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -113.29 124.82 53.39 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 107.098 -1.445 . . . . 1.0 107.098 176.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.7 t -126.38 132.68 51.49 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 120.613 -1.304 . . . . 1.0 113.324 -165.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.7 p -93.51 11.57 28.15 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 126.557 1.943 . . . . 1.0 112.06 -175.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -78.53 -21.48 48.75 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 120.47 -1.394 . . . . 1.0 113.312 177.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 . . . . . 0 C--O 1.262 1.746 0 CA-C-O 117.325 -1.321 . . . . 1.0 114.159 -165.592 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.536 0 O5'-C5'-C4' 114.224 2.874 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.101 0 OP1-P-OP2 115.524 -2.717 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.566 -2.735 0 OP1-P-OP2 116.722 -1.919 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.568 -3.236 0 C5'-C4'-C3' 119.606 3.27 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.569 -3.192 0 P-O5'-C5' 115.698 -3.251 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.565 -3.48 1 P-O3'-C3' 126.807 5.922 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.569 -3.175 0 OP1-P-OP2 116.636 -1.976 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.573 -2.797 0 OP1-P-OP2 116.508 -2.062 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.417 0 OP1-P-OP2 115.662 -2.626 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.348 0 OP1-P-OP2 115.989 -2.407 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.562 -3.768 0 P-O3'-C3' 122.79 2.575 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.571 -3.037 0 O4'-C1'-C2' 103.342 -2.507 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.455 0 P-O3'-C3' 123.395 3.079 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.665 0 OP1-P-OP2 115.507 -2.728 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.985 0 OP1-P-OP2 116.278 -2.214 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.959 0 O5'-C5'-C4' 113.452 2.323 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.695 0 O5'-C5'-C4' 114.142 2.816 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.772 0 P-O5'-C5' 117.091 -2.381 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.558 -4.066 0 P-O3'-C3' 124.315 3.846 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.584 0 OP1-P-OP2 116.823 -1.851 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.711 1 P-O3'-C3' 124.523 4.019 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.112 0 O4'-C1'-C2' 102.517 -3.258 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.297 0 OP1-P-OP2 116.373 -2.151 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.773 0 P-O5'-C5' 115.464 -3.398 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.466 0 P-O3'-C3' 124.121 3.684 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.032 0 O4'-C1'-C2' 102.989 -2.828 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.452 0 P-O3'-C3' 123.024 2.77 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.287 0 OP1-P-OP2 115.809 -2.527 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.57 -3.061 0 OP1-P-OP2 115.248 -2.901 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.25 0 P-O3'-C3' 122.722 2.519 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.311 0 OP1-P-OP2 116.837 -1.842 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.167 0 OP1-P-OP2 115.849 -2.501 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.7 tpp . . . . . 0 N--CA 1.482 1.154 0 CA-C-O 119.226 -0.416 . . . . 1.0 111.538 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.21 17.72 1.73 Allowed 'General case' 0 C--N 1.354 0.768 0 O-C-N 120.217 -1.552 . . . . 1.0 114.297 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.2 p -124.37 -16.3 4.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 O-C-N 120.367 -1.458 . . . . 1.0 110.775 173.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.52 9.5 7.15 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 125.931 1.692 . . . . 1.0 110.572 -178.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -152.34 122.01 6.92 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 124.021 0.929 . . . . 1.0 110.22 -170.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.5 p -35.49 133.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.605 0 C-N-CA 128.6 2.76 . . . . 1.0 117.802 175.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.1 mt -107.35 118.21 54.64 Favored 'Isoleucine or valine' 0 C--N 1.345 0.38 0 N-CA-C 106.873 -1.529 . . . . 1.0 106.873 176.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -123.24 113.52 19.03 Favored 'General case' 0 C--N 1.345 0.404 0 O-C-N 121.301 -0.875 . . . . 1.0 109.423 -175.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 19.4 ptt? -158.67 148.05 19.12 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 121.169 -0.957 . . . . 1.0 110.997 174.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 57.28 35.8 26.54 Favored 'General case' 0 C--N 1.347 0.457 0 C-N-CA 126.915 2.086 . . . . 1.0 114.628 -178.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.72 6.17 88.4 Favored Glycine 0 C--N 1.349 1.268 0 O-C-N 120.556 -1.34 . . . . 1.0 114.375 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.0 tp -120.34 129.9 54.19 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 125.082 1.353 . . . . 1.0 109.025 -175.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 93.9 p -124.18 130.67 52.94 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 120.785 -1.197 . . . . 1.0 111.913 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 tt -126.78 125.62 42.02 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 120.853 -1.154 . . . . 1.0 109.885 -176.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -108.79 109.06 61.18 Favored Pre-proline 0 C--O 1.237 0.439 0 C-N-CA 124.699 1.2 . . . . 1.0 109.434 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -67.47 -25.83 41.17 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.78 2.32 . . . . 1.0 113.968 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.9 m -63.38 -45.81 89.39 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 124.23 1.012 . . . . 1.0 112.645 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.2 p -107.45 -4.6 18.32 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 120.872 -1.143 . . . . 1.0 114.004 -178.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.3 m170 64.04 44.67 4.51 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 125.731 1.612 . . . . 1.0 113.523 -172.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -111.41 130.02 55.83 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 120.932 -1.105 . . . . 1.0 111.012 -175.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.8 t -119.51 131.93 70.73 Favored 'Isoleucine or valine' 0 C--N 1.349 0.576 0 N-CA-C 108.445 -0.946 . . . . 1.0 108.445 176.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 70.8 mtp -130.77 150.38 51.98 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 120.642 -1.286 . . . . 1.0 110.693 175.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.24 108.87 17.86 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 105.969 -1.863 . . . . 1.0 105.969 168.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 55.95 -116.74 7.66 Favored Glycine 0 C--N 1.348 1.244 0 O-C-N 120.703 -1.248 . . . . 1.0 113.69 -164.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -105.38 19.43 20.6 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 123.864 0.866 . . . . 1.0 112.292 174.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -109.24 117.59 52.93 Favored Pre-proline 0 C--N 1.351 0.64 0 O-C-N 120.528 -1.358 . . . . 1.0 110.607 177.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.7 144.85 22.49 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.991 2.46 . . . . 1.0 112.963 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.2 mp -96.49 159.93 14.68 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 124.639 1.176 . . . . 1.0 111.414 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -123.96 119.48 29.69 Favored 'General case' 0 C--N 1.346 0.413 0 C-N-CA 125.425 1.49 . . . . 1.0 108.633 177.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.0 ptp -155.79 159.19 39.22 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 120.415 -1.428 . . . . 1.0 112.146 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.82 158.01 47.73 Favored Glycine 0 C--N 1.35 1.352 0 O-C-N 120.883 -1.136 . . . . 1.0 114.78 175.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -68.63 -30.73 27.79 Favored 'Trans proline' 0 C--N 1.323 -0.785 0 C-N-CA 123.318 2.679 . . . . 1.0 112.88 -177.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.1 m -67.29 -38.26 84.74 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-O 122.016 0.913 . . . . 1.0 110.954 173.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -41.9 95.2 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 125.125 1.37 . . . . 1.0 111.653 174.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -59.69 -46.35 89.35 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 121.104 -0.998 . . . . 1.0 112.699 173.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -62.45 -40.84 97.92 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 120.911 -1.118 . . . . 1.0 113.221 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.6 tp -65.17 -44.54 88.18 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 114.199 1.185 . . . . 1.0 114.199 170.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.4 tp -62.7 -41.55 99.18 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.364 -1.46 . . . . 1.0 113.049 177.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -59.34 -41.39 89.06 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 121.036 -1.04 . . . . 1.0 112.427 172.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -63.35 -45.9 89.08 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 121.131 -0.981 . . . . 1.0 113.082 175.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -63.89 -44.86 91.74 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 114.551 1.315 . . . . 1.0 114.551 175.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 92.6 mtp -64.67 -34.87 79.32 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.28 -1.513 . . . . 1.0 113.895 177.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.8 p -75.37 -16.73 60.35 Favored 'General case' 0 C--N 1.345 0.395 0 O-C-N 120.494 -1.379 . . . . 1.0 112.941 172.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -134.29 67.65 72.8 Favored Pre-proline 0 C--N 1.353 0.728 0 O-C-N 120.69 -1.256 . . . . 1.0 114.217 -178.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -79.05 160.47 26.86 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 123.276 2.651 . . . . 1.0 112.133 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 61.22 42.57 11.94 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 127.652 2.381 . . . . 1.0 113.203 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -148.88 134.3 18.52 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 120.886 -1.134 . . . . 1.0 110.233 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 20.0 t -85.95 130.38 36.56 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 O-C-N 120.634 -1.291 . . . . 1.0 110.554 176.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -121.37 127.02 50.81 Favored 'General case' 0 CA--C 1.502 -0.887 0 C-N-CA 125.631 1.572 . . . . 1.0 107.584 176.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.5 p -75.08 164.43 26.53 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 121.928 0.871 . . . . 1.0 111.739 172.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.6 mtt85 -60.74 -34.69 74.8 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 120.45 -1.406 . . . . 1.0 111.906 177.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -57.89 -45.0 87.05 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 114.147 1.165 . . . . 1.0 114.147 169.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -65.97 -42.59 89.69 Favored 'General case' 0 C--N 1.359 0.991 0 O-C-N 120.108 -1.62 . . . . 1.0 112.881 174.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.88 -39.99 93.83 Favored 'General case' 0 C--N 1.347 0.491 0 O-C-N 121.02 -1.05 . . . . 1.0 112.918 176.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.8 mt -59.53 -41.06 89.16 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.702 -1.249 . . . . 1.0 114.11 172.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -67.05 -48.34 68.57 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 120.081 -1.637 . . . . 1.0 113.106 170.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -68.35 -44.34 75.48 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 115.914 1.82 . . . . 1.0 115.914 -176.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.6 t -102.49 -36.37 4.39 Favored 'Isoleucine or valine' 0 C--N 1.347 0.473 0 O-C-N 121.142 -0.974 . . . . 1.0 111.703 -170.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 20.8 m-90 -98.22 -11.23 22.91 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 119.984 -1.698 . . . . 1.0 111.496 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.7 1.55 73.77 Favored Glycine 0 C--N 1.342 0.893 0 O-C-N 120.223 -1.548 . . . . 1.0 115.898 165.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . 0.346 0.5 OUTLIER 63.3 -24.73 0.06 Allowed 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 128.331 2.652 . . . . 1.0 117.018 -178.168 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -66.44 -42.27 87.9 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 119.26 -2.15 . . . . 1.0 111.262 168.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.4 t -61.14 136.43 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 C-N-CA 124.92 1.288 . . . . 1.0 111.782 171.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -118.45 120.26 37.03 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 123.156 1.455 . . . . 1.0 111.223 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.5 m -151.0 154.23 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 C-N-CA 126.343 1.857 . . . . 1.0 108.057 -177.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -62.67 151.19 38.9 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 124.935 1.294 . . . . 1.0 111.826 170.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -65.64 -17.55 64.68 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 120.321 -1.487 . . . . 1.0 113.505 -171.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -95.17 6.82 47.99 Favored 'General case' 0 N--CA 1.443 -0.79 0 O-C-N 120.674 -1.266 . . . . 1.0 114.031 -175.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 t -75.59 -18.75 59.63 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 119.312 -2.118 . . . . 1.0 111.008 162.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.6 t -62.27 -48.4 88.57 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 0 O-C-N 120.021 -1.675 . . . . 1.0 111.838 169.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.12 -44.07 87.53 Favored 'General case' 0 C--N 1.35 0.616 0 C-N-CA 126.018 1.727 . . . . 1.0 113.306 177.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 52.9 t -63.94 -44.39 97.95 Favored 'Isoleucine or valine' 0 C--N 1.346 0.424 0 C-N-CA 125.589 1.556 . . . . 1.0 112.42 175.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -66.91 -36.76 83.0 Favored 'General case' 0 C--N 1.344 0.356 0 O-C-N 119.868 -1.77 . . . . 1.0 113.683 175.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.6 mm -59.29 -41.45 84.14 Favored 'Isoleucine or valine' 0 C--N 1.348 0.523 0 O-C-N 120.621 -1.3 . . . . 1.0 112.071 170.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -43.62 95.89 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 120.258 -1.526 . . . . 1.0 113.279 172.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.8 -38.71 92.1 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 124.965 1.306 . . . . 1.0 113.47 175.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.5 tp -61.93 -42.74 99.45 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 124.844 1.258 . . . . 1.0 113.361 173.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -57.25 -45.74 83.69 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 120.311 -1.493 . . . . 1.0 114.156 170.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -61.66 -39.1 90.17 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.578 -1.326 . . . . 1.0 113.454 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.28 -38.82 88.14 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 114.52 1.304 . . . . 1.0 114.52 173.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 77.1 mt -94.97 -4.52 46.54 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 120.884 -1.135 . . . . 1.0 112.792 -174.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -63.16 -41.78 71.75 Favored Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 116.663 2.097 . . . . 1.0 116.663 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -56.79 -40.15 86.3 Favored 'Trans proline' 0 C--N 1.343 0.24 0 CA-C-N 124.907 2.788 . . . . 1.0 115.096 175.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -83.18 -2.6 90.46 Favored Glycine 0 C--N 1.348 1.204 0 N-CA-C 114.684 0.633 . . . . 1.0 114.684 174.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.17 10.2 86.31 Favored Glycine 0 C--N 1.35 1.311 0 O-C-N 120.838 -1.389 . . . . 1.0 115.229 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -96.58 0.19 49.65 Favored 'General case' 0 C--N 1.344 0.327 0 O-C-N 120.493 -1.592 . . . . 1.0 113.49 -170.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -57.72 -34.4 69.43 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 127.054 2.142 . . . . 1.0 115.048 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -88.86 4.49 47.63 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 124.912 1.285 . . . . 1.0 113.148 -166.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 52.8 mtm -89.32 -3.68 58.39 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 121.138 -0.976 . . . . 1.0 111.967 172.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.4 t -83.32 120.43 34.53 Favored 'Isoleucine or valine' 0 C--N 1.35 0.601 0 N-CA-C 108.132 -1.062 . . . . 1.0 108.132 168.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -108.78 148.16 30.96 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 124.651 1.18 . . . . 1.0 109.452 -174.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 49.7 m -119.53 123.96 45.26 Favored 'General case' 0 CA--C 1.498 -1.037 0 O-C-N 121.302 -0.874 . . . . 1.0 110.791 -173.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.7 t -108.47 108.46 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 C-N-CA 123.93 0.892 . . . . 1.0 108.85 -175.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 48.0 ttm-85 -64.34 120.1 11.57 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-O 122.312 1.053 . . . . 1.0 113.406 -172.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 84.67 2.88 88.59 Favored Glycine 0 CA--C 1.497 -1.051 0 O-C-N 120.801 -1.187 . . . . 1.0 113.795 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.0 m -127.21 -57.3 1.31 Allowed 'General case' 0 CA--C 1.505 -0.775 0 O-C-N 121.563 -0.963 . . . . 1.0 109.599 -176.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 159.36 -137.51 5.17 Favored Glycine 0 C--N 1.349 1.279 0 O-C-N 120.531 -1.356 . . . . 1.0 112.559 -173.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -136.27 161.95 34.33 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.615 0.722 . . . . 1.0 110.432 -170.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 47.3 ttt-85 -150.88 151.66 32.54 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 107.68 -1.23 . . . . 1.0 107.68 -169.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -127.67 147.39 50.38 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.058 -1.651 . . . . 1.0 108.83 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.7 t -149.52 147.42 28.17 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 119.971 -1.706 . . . . 1.0 112.363 178.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.8 p -99.5 6.28 45.93 Favored 'General case' 0 C--N 1.345 0.404 0 C-N-CA 125.126 1.371 . . . . 1.0 111.373 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -62.07 -34.8 76.95 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 115.894 1.813 . . . . 1.0 115.894 -176.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 . . . . . 0 C--O 1.263 1.775 0 C-N-CA 127.085 2.154 . . . . 1.0 115.885 -170.502 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.683 0 O5'-C5'-C4' 114.461 3.043 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.088 0 OP1-P-OP2 115.987 -2.409 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.657 0 P-O5'-C5' 116.708 -2.62 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.568 -3.288 0 P-O5'-C5' 116.124 -2.985 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.561 -3.854 0 P-O3'-C3' 123.905 3.504 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.969 0 O4'-C1'-C2' 103.719 -2.164 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.229 0 OP1-P-OP2 116.003 -2.398 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.381 0 O4'-C1'-C2' 102.054 -3.678 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.179 0 OP1-P-OP2 116.767 -1.889 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.563 -3.676 0 P-O5'-C5' 115.77 -3.206 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.386 0 OP1-P-OP2 116.069 -2.354 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.583 0 P-O5'-C5' 116.14 -2.975 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.91 0 P-O3'-C3' 123.249 2.958 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.599 0 O5'-C5'-C4' 115.026 3.447 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.824 0 OP1-P-OP2 116.384 -2.144 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.407 0 OP1-P-OP2 115.801 -2.532 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.907 0 O5'-C5'-C4' 114.625 3.161 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.56 -3.917 1 P-O3'-C3' 125.367 4.722 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.872 0 OP1-P-OP2 115.603 -2.665 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.169 0 O5'-C5'-C4' 114.066 2.761 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.78 0 OP1-P-OP2 115.799 -2.534 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.258 0 O4'-C1'-C2' 103.552 -2.316 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.756 0 OP1-P-OP2 117.112 -1.659 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.566 -3.393 0 P-O5'-C5' 116.073 -3.017 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.338 0 P-O3'-C3' 123.346 3.038 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.836 0 O4'-C1'-C2' 102.905 -2.905 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.628 0 P-O5'-C5' 116.264 -2.897 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.559 0 P-O3'-C3' 124.009 3.591 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.574 -2.733 0 P-O5'-C5' 115.75 -3.219 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.556 -4.262 1 P-O3'-C3' 125.141 4.534 . . . . 1.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.479 0 OP1-P-OP2 115.479 -2.748 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.332 0 C4'-C3'-O3' 115.784 2.493 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 113.534 0.938 . . . . 1.0 113.534 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.54 -42.94 98.37 Favored 'General case' 0 C--N 1.351 0.655 0 O-C-N 120.543 -1.348 . . . . 1.0 114.143 173.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . 0.257 2.1 t 55.32 53.58 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.72 0 C-N-CA 127.852 2.461 . . . . 1.0 112.149 -179.179 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -108.87 -11.63 14.99 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 113.14 0.793 . . . . 1.0 113.14 -168.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 54.0 mp0 -68.84 -43.48 75.41 Favored 'General case' 0 N--CA 1.449 -0.489 0 O-C-N 120.619 -1.3 . . . . 1.0 113.525 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 32.7 m -120.22 144.86 27.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 105.786 -1.931 . . . . 1.0 105.786 174.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.2 mt -104.05 110.61 30.81 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.454 0 O-C-N 120.015 -1.678 . . . . 1.0 107.972 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -116.27 125.15 51.79 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 121.639 0.733 . . . . 1.0 111.823 -176.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 13.2 ptp -157.83 145.69 18.68 Favored 'General case' 0 C--N 1.347 0.465 0 C-N-CA 124.051 0.94 . . . . 1.0 109.27 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 tm0? 59.51 28.08 17.39 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 120.207 -1.558 . . . . 1.0 114.631 171.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.16 6.12 87.49 Favored Glycine 0 C--N 1.352 1.456 0 O-C-N 119.28 -2.137 . . . . 1.0 114.933 -174.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.5 tp -117.54 137.08 52.81 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.789 1.636 . . . . 1.0 108.522 -176.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.4 t -137.07 131.86 33.35 Favored 'General case' 0 C--N 1.347 0.463 0 O-C-N 120.358 -1.464 . . . . 1.0 111.328 -178.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 tt -124.71 131.22 53.48 Favored 'General case' 0 C--N 1.345 0.39 0 C-N-CA 124.561 1.144 . . . . 1.0 110.401 -174.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -108.95 112.6 60.02 Favored Pre-proline 0 C--O 1.237 0.438 0 O-C-N 120.664 -1.273 . . . . 1.0 107.705 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -67.01 -32.54 34.67 Favored 'Trans proline' 0 CA--C 1.513 -0.533 0 C-N-CA 122.691 2.26 . . . . 1.0 113.618 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 64.6 m -68.47 -41.81 79.61 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.887 1.275 . . . . 1.0 111.311 -176.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.5 m -96.54 -4.33 41.53 Favored 'General case' 0 CA--C 1.508 -0.663 0 O-C-N 121.68 -0.637 . . . . 1.0 112.175 -176.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.9 m170 61.21 31.47 19.52 Favored 'General case' 0 C--N 1.35 0.593 0 C-N-CA 125.388 1.475 . . . . 1.0 113.499 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -122.11 135.92 54.85 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 120.96 -1.088 . . . . 1.0 112.88 -165.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 44.3 t -117.24 128.05 74.65 Favored 'Isoleucine or valine' 0 C--N 1.348 0.518 0 C-N-CA 124.263 1.025 . . . . 1.0 109.458 -178.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 89.7 mmm -114.68 135.15 54.47 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 125.891 1.677 . . . . 1.0 108.59 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.12 112.47 19.57 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 107.522 -1.288 . . . . 1.0 107.522 173.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.7 -111.11 3.22 Favored Glycine 0 C--N 1.347 1.178 0 O-C-N 120.585 -1.322 . . . . 1.0 113.32 -167.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -106.84 9.09 31.01 Favored 'General case' 0 C--N 1.347 0.457 0 C-N-CA 123.855 0.862 . . . . 1.0 112.528 175.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -114.06 128.42 25.8 Favored Pre-proline 0 C--N 1.351 0.655 0 O-C-N 120.756 -1.215 . . . . 1.0 112.105 -169.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -75.07 139.42 24.09 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 CA-C-N 123.156 2.163 . . . . 1.0 111.649 170.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.4 mt -121.27 155.55 34.42 Favored 'General case' 0 C--N 1.346 0.44 0 CA-C-O 121.84 0.829 . . . . 1.0 109.655 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -116.77 144.15 44.82 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 122.4 1.095 . . . . 1.0 112.875 -171.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -158.26 164.23 36.65 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.095 1.358 . . . . 1.0 107.588 174.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.36 174.47 54.43 Favored Glycine 0 C--N 1.35 1.323 0 O-C-N 121.147 -0.97 . . . . 1.0 113.621 174.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -73.7 -33.02 6.97 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 121.933 1.755 . . . . 1.0 112.907 -168.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 77.4 m -61.32 -42.32 98.48 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 120.388 1.449 . . . . 1.0 111.988 172.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -63.71 -42.04 98.0 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 120.809 -1.182 . . . . 1.0 112.435 172.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -61.27 -45.91 92.54 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.964 -1.085 . . . . 1.0 113.551 175.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -62.29 -42.1 99.06 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 120.213 -1.554 . . . . 1.0 112.946 176.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.2 tp -63.3 -43.11 98.8 Favored 'General case' 0 C--N 1.347 0.497 0 O-C-N 121.226 -0.921 . . . . 1.0 112.811 174.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.8 tp -63.34 -41.63 98.89 Favored 'General case' 0 C--N 1.346 0.453 0 O-C-N 120.785 -1.197 . . . . 1.0 113.685 174.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -59.78 -41.83 92.01 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 120.418 -1.426 . . . . 1.0 112.604 172.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -62.51 -45.95 90.65 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.964 -1.085 . . . . 1.0 112.682 173.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -63.27 -43.31 98.32 Favored 'General case' 0 C--N 1.347 0.471 0 N-CA-C 114.945 1.461 . . . . 1.0 114.945 174.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 95.0 mtp -74.76 -16.11 60.74 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 119.536 -1.978 . . . . 1.0 113.428 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.1 p -94.46 -0.22 54.89 Favored 'General case' 0 C--N 1.346 0.426 0 O-C-N 120.658 -1.276 . . . . 1.0 110.674 170.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -144.67 64.42 11.65 Favored Pre-proline 0 C--N 1.35 0.604 0 O-C-N 120.317 -1.489 . . . . 1.0 114.424 175.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.37 154.96 56.06 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.794 2.329 . . . . 1.0 113.228 173.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 62.72 39.71 10.78 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 127.926 2.49 . . . . 1.0 114.726 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -147.33 131.63 17.5 Favored 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 120.669 -1.269 . . . . 1.0 110.119 177.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.5 t -77.48 133.56 30.38 Favored 'Isoleucine or valine' 0 C--N 1.348 0.538 0 O-C-N 120.926 -1.109 . . . . 1.0 111.974 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -125.41 128.13 47.63 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 107.847 -1.168 . . . . 1.0 107.847 173.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 92.3 p -69.97 164.75 23.22 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 122.371 1.081 . . . . 1.0 112.595 170.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 73.2 mtt85 -59.84 -36.86 77.72 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 120.755 -1.216 . . . . 1.0 112.594 176.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -58.81 -44.58 90.85 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.929 -1.107 . . . . 1.0 113.904 169.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -67.66 -41.73 83.32 Favored 'General case' 0 C--N 1.359 1.005 0 O-C-N 120.444 -1.41 . . . . 1.0 112.452 177.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 97.0 mt -61.14 -41.84 97.46 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 120.858 -1.151 . . . . 1.0 113.055 174.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.4 mt -60.61 -47.01 88.12 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.735 -1.228 . . . . 1.0 113.456 171.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -65.7 -44.62 85.6 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 121.048 -1.032 . . . . 1.0 113.01 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -67.76 -44.28 77.88 Favored 'General case' 0 C--N 1.349 0.578 0 N-CA-C 114.907 1.447 . . . . 1.0 114.907 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 81.4 t -99.07 -63.0 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.682 0 O-C-N 120.548 -1.345 . . . . 1.0 111.766 -168.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 13.5 m-90 -67.39 -41.54 84.83 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 124.622 1.169 . . . . 1.0 112.74 -178.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.25 -169.43 13.64 Favored Glycine 0 C--N 1.348 1.235 0 CA-C-O 122.655 1.142 . . . . 1.0 114.21 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.8 p -102.65 -22.65 13.93 Favored 'General case' 0 C--N 1.344 0.351 0 O-C-N 121.122 -1.222 . . . . 1.0 111.794 -172.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -103.74 27.41 7.53 Favored 'General case' 0 C--N 1.346 0.426 0 O-C-N 120.128 -1.608 . . . . 1.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.2 t -116.46 137.37 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 C-N-CA 125.21 1.404 . . . . 1.0 108.129 177.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -124.26 9.17 8.55 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 122.891 1.329 . . . . 1.0 114.401 -152.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.2 m -57.82 148.83 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 127.388 2.275 . . . . 1.0 115.217 177.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -55.91 162.7 1.73 Allowed 'General case' 0 C--N 1.348 0.507 0 C-N-CA 126.186 1.794 . . . . 1.0 113.503 166.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -61.89 -32.12 72.47 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 119.936 -1.727 . . . . 1.0 112.525 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -95.03 8.56 42.53 Favored 'General case' 0 N--CA 1.443 -0.822 0 O-C-N 120.668 -1.27 . . . . 1.0 113.797 -160.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.9 t -75.77 -21.87 56.99 Favored 'General case' 0 C--N 1.352 0.684 0 O-C-N 120.204 -1.56 . . . . 1.0 111.203 159.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 38.8 t -63.31 -48.04 89.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 O-C-N 119.799 -1.813 . . . . 1.0 111.512 171.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.11 -43.16 91.89 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 126.094 1.758 . . . . 1.0 113.295 177.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 77.6 t -63.82 -44.64 98.23 Favored 'Isoleucine or valine' 0 C--N 1.349 0.55 0 C-N-CA 124.283 1.033 . . . . 1.0 112.29 173.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -65.98 -32.62 74.21 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 120.044 -1.66 . . . . 1.0 113.601 175.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.5 mm -62.16 -41.83 92.82 Favored 'Isoleucine or valine' 0 C--N 1.345 0.383 0 O-C-N 120.715 -1.241 . . . . 1.0 112.392 169.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -37.65 85.05 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 120.312 -1.492 . . . . 1.0 112.022 172.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . 0.285 95.8 mtt180 -67.46 -33.14 74.51 Favored 'General case' 0 CA--C 1.563 1.48 0 CA-C-N 119.77 1.168 . . . . 1.0 112.51 174.267 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . 0.265 38.9 tp -73.09 -33.54 65.67 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-N 119.849 1.204 . . . . 1.0 113.607 174.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -65.2 -40.35 94.07 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 119.715 1.143 . . . . 1.0 113.95 167.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -60.9 -42.83 98.8 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 120.771 -1.206 . . . . 1.0 112.57 174.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.19 -39.08 93.63 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 115.528 1.677 . . . . 1.0 115.528 174.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.1 mt -99.33 5.27 46.54 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 121.232 -0.918 . . . . 1.0 111.992 -174.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -57.29 -43.42 99.13 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-O 115.988 -1.958 . . . . 1.0 115.668 172.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -54.11 125.31 18.38 Favored 'Trans proline' 0 C--N 1.346 0.433 0 CA-C-N 124.846 2.767 . . . . 1.0 114.472 168.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.04 0.95 84.34 Favored Glycine 0 C--N 1.343 0.935 0 N-CA-C 115.442 0.937 . . . . 1.0 115.442 -176.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 73.49 39.64 49.64 Favored Glycine 0 C--N 1.349 1.301 0 O-C-N 120.767 -1.431 . . . . 1.0 116.371 173.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -102.87 -5.99 22.98 Favored 'General case' 0 C--N 1.348 0.543 0 O-C-N 121.003 -1.293 . . . . 1.0 112.505 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -53.21 -36.33 60.88 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 126.103 1.761 . . . . 1.0 114.731 170.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -67.72 -15.64 63.74 Favored 'General case' 0 C--N 1.345 0.374 0 N-CA-C 115.737 1.755 . . . . 1.0 115.737 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 84.1 mtp -61.63 -35.63 78.47 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 120.598 -1.314 . . . . 1.0 112.913 173.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.9 t -72.97 106.89 3.24 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 C-N-CA 124.406 1.082 . . . . 1.0 111.39 174.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -102.2 152.88 20.51 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.868 1.667 . . . . 1.0 110.763 -177.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.3 m -116.78 132.6 56.65 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-O 122.13 0.967 . . . . 1.0 110.068 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.9 t -114.38 105.2 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 C-N-CA 124.316 1.046 . . . . 1.0 108.382 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 66.6 ttt-85 -55.02 114.48 1.77 Allowed 'General case' 0 C--N 1.353 0.746 0 C-N-CA 125.634 1.574 . . . . 1.0 114.47 -174.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.25 -1.64 87.54 Favored Glycine 0 C--N 1.347 1.189 0 C-N-CA 124.49 1.043 . . . . 1.0 114.154 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 56.9 m -122.9 -44.83 2.18 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 118.684 1.242 . . . . 1.0 110.984 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 152.77 -136.07 5.2 Favored Glycine 0 C--N 1.35 1.324 0 O-C-N 119.531 -1.98 . . . . 1.0 113.797 -175.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -137.84 162.93 32.68 Favored 'General case' 0 C--N 1.344 0.355 0 O-C-N 121.435 -1.038 . . . . 1.0 111.167 -171.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -147.89 155.57 41.75 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 124.349 1.06 . . . . 1.0 108.772 -176.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -121.51 141.65 50.83 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 120.337 -1.477 . . . . 1.0 108.828 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.0 t -142.32 139.97 32.0 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.183 -1.573 . . . . 1.0 113.459 -174.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.0 p -100.23 0.95 41.33 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 126.325 1.85 . . . . 1.0 112.077 -176.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -74.32 -16.16 60.93 Favored 'General case' 0 C--N 1.349 0.569 0 N-CA-C 115.806 1.78 . . . . 1.0 115.806 -169.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 . . . . . 0 C--O 1.261 1.67 0 C-N-CA 124.373 1.069 . . . . 1.0 112.727 -176.389 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.459 0 O5'-C5'-C4' 113.965 2.689 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.962 0 OP1-P-OP2 115.993 -2.405 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.153 0 P-O5'-C5' 115.373 -3.455 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.563 -3.659 0 P-O5'-C5' 116.145 -2.972 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.979 0 P-O3'-C3' 122.464 2.303 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.692 0 OP1-P-OP2 116.381 -2.146 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.556 0 OP1-P-OP2 116.518 -2.054 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.574 -2.743 0 OP1-P-OP2 115.899 -2.467 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.56 -3.938 0 P-O3'-C3' 123.632 3.277 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.195 0 P-O5'-C5' 117.069 -2.394 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.182 0 OP1-P-OP2 116.726 -1.916 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.882 1 O4'-C1'-C2' 100.429 -5.155 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.879 0 OP1-P-OP2 116.478 -2.081 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.207 0 OP1-P-OP2 116.775 -1.883 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.438 0 P-O3'-C3' 122.886 2.655 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.823 0 OP1-P-OP2 116.735 -1.91 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.765 0 O5'-C5'-C4' 114.574 3.124 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.561 1 O4'-C1'-C2' 101.236 -4.421 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.561 -3.823 0 P-O3'-C3' 123.858 3.465 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.167 0 O4'-C1'-C2' 103.615 -2.259 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.568 -3.238 0 OP1-P-OP2 115.712 -2.592 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.561 -3.838 0 P-O3'-C3' 123.185 2.904 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.878 0 OP1-P-OP2 116.055 -2.363 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.56 -3.933 0 OP1-P-OP2 115.292 -2.872 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.561 -3.848 1 P-O3'-C3' 125.722 5.018 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.571 -3.02 1 O4'-C1'-C2' 101.281 -4.381 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.557 -4.192 0 P-O3'-C3' 124.394 3.911 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.555 -4.367 1 P-O3'-C3' 126.081 5.318 . . . . 1.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.767 0 O5'-C5'-C4' 113.042 2.03 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.946 0 OP1-P-OP2 116.292 -2.205 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.539 0 OP1-P-OP2 116.036 -2.376 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.415 0 OP1-P-OP2 115.844 -2.504 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 mmt . . . . . 0 N--CA 1.485 1.304 0 N-CA-C 113.204 0.816 . . . . 1.0 113.204 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.54 27.02 0.92 Allowed 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 120.971 -1.081 . . . . 1.0 110.244 -174.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.1 t 78.12 102.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.35 0.597 0 C-N-CA 127.069 2.148 . . . . 1.0 109.634 -171.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -95.28 1.87 54.62 Favored 'General case' 0 C--N 1.346 0.439 0 O-C-N 120.293 -1.505 . . . . 1.0 110.684 -172.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.4 -39.23 91.92 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 124.897 1.279 . . . . 1.0 112.646 166.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.7 t -60.32 137.93 22.0 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 C-N-CA 125.988 1.715 . . . . 1.0 111.365 172.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.6 mt -113.79 125.91 71.16 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 O-C-N 120.305 -1.497 . . . . 1.0 108.237 177.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -118.28 119.75 35.59 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 124.491 1.116 . . . . 1.0 110.688 176.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.1 ptp -150.56 142.82 24.2 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.59 -1.319 . . . . 1.0 110.344 169.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 51.82 35.62 15.93 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 116.266 1.95 . . . . 1.0 116.266 174.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.58 6.14 89.5 Favored Glycine 0 C--N 1.349 1.302 0 O-C-N 120.052 -1.655 . . . . 1.0 115.296 -177.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.6 tp -116.62 130.92 57.02 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 124.518 1.127 . . . . 1.0 109.002 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 90.3 p -128.73 135.57 49.39 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 120.988 -1.07 . . . . 1.0 112.533 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.6 tt -129.03 124.91 36.13 Favored 'General case' 0 C--N 1.344 0.345 0 O-C-N 120.82 -1.175 . . . . 1.0 109.602 -177.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -114.74 109.01 48.16 Favored Pre-proline 0 C--O 1.239 0.527 0 C-N-CA 125.815 1.646 . . . . 1.0 108.146 -177.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -63.08 -30.43 75.64 Favored 'Trans proline' 0 CA--C 1.51 -0.717 0 C-N-CA 123.029 2.486 . . . . 1.0 114.414 176.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.8 m -60.12 -44.46 94.88 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 119.632 1.105 . . . . 1.0 113.322 -173.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.3 m -104.63 -1.52 26.29 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 121.081 -1.012 . . . . 1.0 112.311 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 71.66 39.82 0.84 Allowed 'General case' 0 CA--C 1.509 -0.615 0 C-N-CA 125.952 1.701 . . . . 1.0 110.333 174.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.8 ptt180 -123.09 136.67 54.9 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-O 122.471 1.129 . . . . 1.0 112.599 -166.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.0 t -113.87 135.55 53.16 Favored 'Isoleucine or valine' 0 C--N 1.346 0.433 0 N-CA-C 107.433 -1.321 . . . . 1.0 107.433 177.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 92.6 mtp -136.04 157.94 45.6 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 120.816 -1.177 . . . . 1.0 109.227 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.66 110.55 16.11 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 121.116 -0.99 . . . . 1.0 109.129 170.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.64 -108.4 1.96 Allowed Glycine 0 C--N 1.348 1.204 0 O-C-N 119.827 -1.796 . . . . 1.0 113.332 -168.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -113.32 14.65 19.29 Favored 'General case' 0 C--N 1.346 0.419 0 C-N-CA 123.692 0.797 . . . . 1.0 112.46 169.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -103.35 112.25 65.58 Favored Pre-proline 0 C--N 1.35 0.596 0 O-C-N 119.957 -1.714 . . . . 1.0 111.369 178.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -51.2 146.97 21.85 Favored 'Trans proline' 0 C--N 1.328 -0.547 0 C-N-CA 123.904 3.069 . . . . 1.0 118.383 167.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.6 mt -128.13 162.09 27.72 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.981 1.713 . . . . 1.0 108.515 172.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -131.02 139.74 50.01 Favored 'General case' 0 C--N 1.348 0.515 0 C-N-CA 124.493 1.117 . . . . 1.0 111.487 -171.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.0 ptp -162.55 161.61 26.92 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 120.783 -1.198 . . . . 1.0 111.531 175.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.98 170.12 52.18 Favored Glycine 0 C--N 1.349 1.269 0 O-C-N 119.501 -2.0 . . . . 1.0 114.086 170.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -70.62 -31.6 16.4 Favored 'Trans proline' 0 C--N 1.321 -0.887 0 C-N-CA 123.544 2.83 . . . . 1.0 112.326 -174.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.3 m -64.3 -40.05 95.17 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 119.825 1.193 . . . . 1.0 111.509 175.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.38 -42.41 92.73 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 125.352 1.461 . . . . 1.0 111.824 172.083 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -61.37 -45.89 92.48 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 120.883 -1.135 . . . . 1.0 113.445 176.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -61.65 -41.93 98.2 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 120.671 -1.268 . . . . 1.0 112.97 175.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.9 tp -62.95 -46.02 89.69 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 123.868 0.867 . . . . 1.0 112.85 173.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.4 tp -64.04 -40.63 96.73 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 120.724 -1.235 . . . . 1.0 113.534 177.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -60.91 -41.21 95.68 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.263 -1.523 . . . . 1.0 113.057 172.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -63.67 -44.21 94.43 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 120.614 -1.304 . . . . 1.0 112.487 173.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -62.38 -44.88 95.42 Favored 'General case' 0 C--N 1.344 0.35 0 N-CA-C 114.675 1.361 . . . . 1.0 114.675 173.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 90.2 mtp -75.05 -16.31 60.59 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 119.44 -2.037 . . . . 1.0 113.241 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.0 p -90.33 -5.36 56.32 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 120.401 -1.437 . . . . 1.0 111.121 170.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -142.81 67.52 18.39 Favored Pre-proline 0 C--N 1.354 0.763 0 N-CA-C 114.522 1.305 . . . . 1.0 114.522 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -76.63 143.96 24.61 Favored 'Trans proline' 0 C--N 1.331 -0.36 0 C-N-CA 123.008 2.472 . . . . 1.0 112.582 176.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 62.33 43.81 7.94 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 128.922 2.889 . . . . 1.0 113.887 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -134.28 118.69 17.83 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 107.308 -1.367 . . . . 1.0 107.308 177.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 19.5 t -68.26 132.34 32.83 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 O-C-N 119.565 -1.959 . . . . 1.0 112.202 177.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -125.86 127.06 45.47 Favored 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 107.051 -1.463 . . . . 1.0 107.051 174.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 93.8 p -59.59 157.69 11.23 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 124.691 1.197 . . . . 1.0 113.143 167.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 86.0 mtt85 -58.73 -35.73 73.17 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.242 -1.536 . . . . 1.0 112.392 172.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.41 -43.82 92.94 Favored 'General case' 0 C--N 1.352 0.694 0 N-CA-C 114.388 1.255 . . . . 1.0 114.388 168.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -64.2 -43.47 94.94 Favored 'General case' 0 C--N 1.36 1.054 0 O-C-N 119.601 -1.937 . . . . 1.0 111.851 174.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.25 -41.92 98.86 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 120.683 -1.261 . . . . 1.0 113.862 176.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.9 mt -60.75 -46.95 88.48 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.36 -1.463 . . . . 1.0 113.494 173.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -65.43 -45.12 85.11 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 121.006 -1.059 . . . . 1.0 113.709 176.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -73.01 -39.24 66.17 Favored 'General case' 0 C--N 1.347 0.489 0 N-CA-C 115.916 1.821 . . . . 1.0 115.916 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.1 t -97.56 -58.29 3.91 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 O-C-N 120.152 -1.593 . . . . 1.0 112.055 -171.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 13.7 m-90 -69.41 -44.41 71.46 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 121.142 -0.974 . . . . 1.0 111.472 178.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 134.62 157.52 8.13 Favored Glycine 0 C--N 1.344 1.002 0 CA-C-O 122.302 0.946 . . . . 1.0 111.53 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.5 p -64.89 -43.58 92.44 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 125.337 1.455 . . . . 1.0 114.347 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -103.52 -12.26 17.24 Favored 'General case' 0 C--N 1.347 0.476 0 C-N-CA 124.297 1.039 . . . . 1.0 111.332 -173.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.1 t -64.43 146.79 12.87 Favored 'Isoleucine or valine' 0 C--N 1.35 0.611 0 C-N-CA 125.681 1.592 . . . . 1.0 109.974 160.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -150.27 153.13 35.63 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 119.787 -1.821 . . . . 1.0 109.945 175.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 m -150.48 179.82 0.52 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 103.34 -2.837 . . . . 1.0 103.34 176.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -69.4 151.38 46.21 Favored 'General case' 0 N--CA 1.44 -0.934 0 O-C-N 120.291 -1.506 . . . . 1.0 110.149 169.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -57.24 -30.17 64.39 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 125.263 1.425 . . . . 1.0 112.231 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -89.27 9.77 24.69 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 114.794 1.405 . . . . 1.0 114.794 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.4 m -76.2 -20.3 57.61 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 119.43 -2.044 . . . . 1.0 110.848 165.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.7 t -63.76 -48.46 86.4 Favored 'Isoleucine or valine' 0 C--N 1.355 0.831 0 O-C-N 120.217 -1.552 . . . . 1.0 112.678 171.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.54 -42.47 87.91 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 126.101 1.76 . . . . 1.0 113.57 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 70.0 t -62.69 -43.84 98.96 Favored 'Isoleucine or valine' 0 C--N 1.348 0.52 0 C-N-CA 125.062 1.345 . . . . 1.0 112.221 174.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -66.93 -37.14 83.78 Favored 'General case' 0 C--N 1.347 0.489 0 O-C-N 120.273 -1.517 . . . . 1.0 114.432 175.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . 0.331 13.8 mm -51.72 -49.02 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.916 1.686 . . . . 1.0 113.038 169.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . 0.301 0.0 OUTLIER -50.7 -51.73 46.86 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 124.409 2.052 . . . . 1.0 112.612 171.465 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -56.55 -48.56 77.05 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 126.269 1.827 . . . . 1.0 112.849 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 38.2 tp -59.84 -46.15 90.18 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 120.139 -1.601 . . . . 1.0 113.06 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -58.53 -45.63 88.46 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 120.209 -1.557 . . . . 1.0 113.964 170.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.8 tptp -60.89 -39.35 88.96 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.452 -1.405 . . . . 1.0 113.513 176.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.28 -38.9 91.13 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 115.142 1.534 . . . . 1.0 115.142 173.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.7 mt -95.22 -4.33 46.04 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.21 -1.556 . . . . 1.0 111.721 -174.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -59.59 -45.44 98.68 Favored Pre-proline 0 C--N 1.35 0.612 0 N-CA-C 115.968 1.84 . . . . 1.0 115.968 176.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -70.46 -21.08 30.73 Favored 'Trans proline' 0 CA--C 1.515 -0.434 0 CA-C-N 125.851 3.125 . . . . 1.0 111.285 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -84.76 -7.78 83.68 Favored Glycine 0 C--N 1.346 1.131 0 C-N-CA 123.481 0.562 . . . . 1.0 114.132 170.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.12 11.57 84.75 Favored Glycine 0 C--N 1.352 1.448 0 CA-C-N 119.136 1.468 . . . . 1.0 115.2 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -112.89 12.76 19.49 Favored 'General case' 0 C--N 1.344 0.342 0 O-C-N 120.903 -1.351 . . . . 1.0 112.787 -169.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -58.44 -32.02 68.3 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 126.015 1.726 . . . . 1.0 113.867 168.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -54.07 -31.36 51.44 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 127.761 2.424 . . . . 1.0 115.83 -177.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 75.0 mtp -61.56 -35.3 77.41 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 125.506 1.523 . . . . 1.0 114.836 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 32.0 t -75.99 97.99 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.494 0 C-N-CA 124.381 1.073 . . . . 1.0 110.471 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -97.16 158.97 15.18 Favored 'General case' 0 N--CA 1.444 -0.741 0 O-C-N 120.695 -1.253 . . . . 1.0 110.798 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 56.2 m -115.17 133.43 56.05 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 108.374 -0.973 . . . . 1.0 108.374 -177.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.9 t -111.49 104.01 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 N-CA-C 107.016 -1.476 . . . . 1.0 107.016 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -57.26 128.44 37.02 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 125.201 1.401 . . . . 1.0 113.12 -176.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.82 1.99 90.63 Favored Glycine 0 C--N 1.348 1.235 0 C-N-CA 125.171 1.367 . . . . 1.0 114.065 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 40.4 m -134.95 -61.86 0.74 Allowed 'General case' 0 CA--C 1.508 -0.66 0 O-C-N 121.432 -1.04 . . . . 1.0 110.705 -175.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 163.97 -128.36 1.81 Allowed Glycine 0 CA--C 1.496 -1.114 0 O-C-N 120.223 -1.548 . . . . 1.0 112.146 -170.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -141.78 155.58 45.6 Favored 'General case' 0 C--N 1.346 0.436 0 O-C-N 121.201 -1.176 . . . . 1.0 111.21 -167.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -139.21 134.67 33.03 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 125.073 1.349 . . . . 1.0 108.817 -172.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -110.08 121.57 45.56 Favored 'General case' 0 CA--C 1.509 -0.625 0 O-C-N 120.215 -1.553 . . . . 1.0 108.507 -177.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.9 t -119.15 140.35 50.3 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 123.145 1.45 . . . . 1.0 114.242 -163.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.92 6.34 49.33 Favored 'General case' 0 C--N 1.347 0.491 0 C-N-CA 126.082 1.753 . . . . 1.0 111.861 177.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -81.57 -14.99 56.14 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 120.117 -1.615 . . . . 1.0 113.479 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 . . . . . 0 C--O 1.257 1.479 0 C-N-CA 123.83 0.852 . . . . 1.0 111.439 -170.166 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.432 0 O5'-C5'-C4' 114.305 2.932 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.552 0 O4'-C1'-C2' 102.781 -3.017 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.963 0 OP1-P-OP2 116.324 -2.184 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.562 -3.731 0 P-O5'-C5' 114.715 -3.865 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.387 0 P-O5'-C5' 116.2 -2.937 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.568 -3.256 1 P-O3'-C3' 125.366 4.722 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.552 -4.575 1 P-O3'-C3' 124.736 4.197 . . . . 1.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.613 0 OP1-P-OP2 115.576 -2.683 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.815 0 OP1-P-OP2 115.503 -2.731 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.396 0 C4'-C3'-O3' 115.883 2.538 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.562 -3.718 1 P-O3'-C3' 131.39 9.742 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.284 0 OP1-P-OP2 115.132 -2.979 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.74 0 OP1-P-OP2 116.335 -2.177 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.315 0 OP1-P-OP2 115.651 -2.632 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.77 0 OP1-P-OP2 115.887 -2.475 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.231 0 C4'-C3'-O3' 115.298 2.272 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.368 0 O5'-C5'-C4' 114.172 2.837 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.573 -2.829 0 O5'-C5'-C4' 112.891 1.922 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.499 0 OP1-P-OP2 116.144 -2.304 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.714 0 OP1-P-OP2 115.932 -2.446 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.761 0 O5'-C5'-C4' 112.571 1.694 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.7 0 OP1-P-OP2 116.082 -2.345 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.158 0 OP1-P-OP2 116.033 -2.378 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.566 -3.45 0 P-O5'-C5' 116.005 -3.06 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.151 0 P-O3'-C3' 123.615 3.262 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.572 -2.904 0 O4'-C1'-C2' 102.107 -3.63 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.564 -3.608 0 P-O3'-C3' 124.174 3.729 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.493 0 P-O3'-C3' 122.736 2.53 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.992 0 OP1-P-OP2 116.507 -2.062 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.93 0 OP1-P-OP2 115.864 -2.491 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.013 0 O5'-C5'-C4' 113.877 2.626 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.982 0 OP1-P-OP2 115.658 -2.628 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 113.314 0.857 . . . . 1.0 113.314 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 46.17 -145.52 0.2 Allowed 'General case' 0 C--N 1.351 0.647 0 N-CA-C 117.291 2.33 . . . . 1.0 117.291 -178.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.9 p -66.9 -41.45 87.61 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 N-CA-C 116.667 2.099 . . . . 1.0 116.667 -169.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -77.98 -45.44 23.84 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 119.82 -1.8 . . . . 1.0 113.126 -178.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.282 6.0 tp10 69.95 145.16 0.06 Allowed 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 126.793 2.037 . . . . 1.0 115.243 176.353 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.7 t -58.78 139.62 18.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 C-N-CA 125.627 1.571 . . . . 1.0 111.766 175.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.3 mt -113.99 127.37 71.42 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.48 0 N-CA-C 106.475 -1.676 . . . . 1.0 106.475 174.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -132.36 122.71 25.47 Favored 'General case' 0 C--N 1.346 0.448 0 O-C-N 120.984 -1.072 . . . . 1.0 109.91 177.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -151.78 140.81 21.16 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 121.174 -0.954 . . . . 1.0 109.824 179.004 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 61.23 21.59 12.03 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 125.769 1.627 . . . . 1.0 115.008 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.44 0.36 88.99 Favored Glycine 0 C--N 1.352 1.428 0 O-C-N 120.58 -1.325 . . . . 1.0 115.071 -171.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.9 tp -99.68 128.08 45.79 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.301 1.44 . . . . 1.0 108.141 177.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.8 p -125.44 144.76 50.38 Favored 'General case' 0 CA--C 1.512 -0.507 0 O-C-N 120.794 -1.191 . . . . 1.0 111.802 -177.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.8 tt -139.21 128.43 24.01 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 124.217 1.007 . . . . 1.0 109.409 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -110.6 113.83 55.39 Favored Pre-proline 0 C--N 1.348 0.509 0 N-CA-C 107.419 -1.326 . . . . 1.0 107.419 176.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -71.09 -21.41 27.45 Favored 'Trans proline' 0 CA--C 1.51 -0.701 0 C-N-CA 122.651 2.234 . . . . 1.0 112.9 -176.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.7 m -85.18 -44.4 12.97 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-N 118.9 0.773 . . . . 1.0 110.291 -175.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.9 m -77.89 -15.33 59.11 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 120.793 -1.192 . . . . 1.0 112.793 174.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 67.78 37.08 3.3 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 125.223 1.409 . . . . 1.0 111.52 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -118.78 133.82 55.58 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.389 1.076 . . . . 1.0 109.84 -164.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.1 t -121.18 132.77 69.76 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 N-CA-C 107.902 -1.148 . . . . 1.0 107.902 175.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 72.1 mtp -132.77 153.79 50.88 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 121.109 -0.995 . . . . 1.0 111.016 176.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -128.01 124.64 37.67 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 107.263 -1.384 . . . . 1.0 107.263 170.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.96 -113.86 4.79 Favored Glycine 0 C--N 1.352 1.47 0 O-C-N 121.416 -0.803 . . . . 1.0 112.897 -169.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -103.73 3.07 33.76 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.879 1.271 . . . . 1.0 113.716 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -123.81 139.65 32.79 Favored Pre-proline 0 C--N 1.357 0.911 0 O-C-N 120.507 -1.371 . . . . 1.0 113.39 -171.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -70.89 162.92 40.99 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 123.437 2.758 . . . . 1.0 113.816 173.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.6 mt -124.48 163.06 22.62 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-O 122.44 1.114 . . . . 1.0 111.19 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -117.36 121.83 42.19 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 120.744 -1.223 . . . . 1.0 112.028 -170.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.7 ptp -160.26 163.51 33.4 Favored 'General case' 0 N--CA 1.445 -0.697 0 O-C-N 121.544 -0.723 . . . . 1.0 109.44 176.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -85.66 177.49 49.9 Favored Glycine 0 C--N 1.352 1.452 0 O-C-N 121.304 -0.873 . . . . 1.0 112.929 177.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -72.21 -31.59 11.68 Favored 'Trans proline' 0 C--N 1.326 -0.623 0 C-N-CA 122.564 2.176 . . . . 1.0 112.689 -173.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.3 m -64.85 -43.26 93.58 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.745 1.157 . . . . 1.0 112.115 172.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -63.03 -41.49 99.54 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 120.568 -1.333 . . . . 1.0 112.709 172.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -60.38 -44.56 95.51 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 121.081 -1.012 . . . . 1.0 112.625 175.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -62.46 -42.89 99.79 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.844 -1.16 . . . . 1.0 112.839 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.2 tp -63.62 -45.16 91.54 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 124.868 1.267 . . . . 1.0 113.543 172.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.2 tp -63.85 -40.76 97.33 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 120.383 -1.448 . . . . 1.0 113.21 176.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.4 t-160 -61.01 -41.29 96.27 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.505 -1.372 . . . . 1.0 112.87 173.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -61.41 -46.0 91.97 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 120.956 -1.09 . . . . 1.0 111.987 170.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -61.8 -43.5 98.73 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 120.326 -1.484 . . . . 1.0 114.901 175.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 96.9 mtp -75.34 -16.44 60.4 Favored 'General case' 0 C--N 1.346 0.416 0 O-C-N 119.598 -1.938 . . . . 1.0 113.405 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.5 p -95.58 -1.86 49.56 Favored 'General case' 0 C--N 1.347 0.473 0 O-C-N 120.732 -1.23 . . . . 1.0 110.918 169.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -141.47 61.01 12.75 Favored Pre-proline 0 C--N 1.349 0.555 0 O-C-N 120.556 -1.34 . . . . 1.0 113.637 175.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -77.41 149.32 27.41 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 122.676 2.251 . . . . 1.0 111.617 177.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . 0.298 20.7 mm-40 81.53 32.21 0.12 Allowed 'General case' 0 C--N 1.344 0.365 0 C-N-CA 126.598 1.959 . . . . 1.0 114.752 168.595 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -142.27 141.39 32.44 Favored 'General case' 0 C--N 1.346 0.452 0 O-C-N 121.201 -0.937 . . . . 1.0 110.187 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.6 t -84.34 132.41 31.64 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 CA-C-O 122.352 1.072 . . . . 1.0 110.988 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -124.95 130.15 51.78 Favored 'General case' 0 CA--C 1.51 -0.569 0 C-N-CA 124.924 1.29 . . . . 1.0 108.425 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 84.7 p -66.57 160.52 25.09 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 123.58 0.752 . . . . 1.0 110.739 168.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -59.77 -36.82 77.47 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 120.128 -1.608 . . . . 1.0 112.098 175.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 -60.08 -42.1 93.89 Favored 'General case' 0 C--N 1.347 0.462 0 N-CA-C 114.504 1.298 . . . . 1.0 114.504 170.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -64.45 -41.29 96.61 Favored 'General case' 0 C--N 1.362 1.111 0 O-C-N 119.626 -1.921 . . . . 1.0 111.727 174.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.88 -41.01 97.36 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.698 -1.251 . . . . 1.0 113.573 172.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.4 mt -60.3 -47.08 87.56 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.321 -1.487 . . . . 1.0 113.12 171.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -62.91 -45.51 92.16 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 121.152 -0.968 . . . . 1.0 113.442 177.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -70.62 -34.9 72.62 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 115.927 1.825 . . . . 1.0 115.927 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.7 t -109.25 -72.49 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.457 0 O-C-N 121.065 -1.022 . . . . 1.0 110.943 -171.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 8.3 m-90 -61.06 -37.35 82.35 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 125.685 1.594 . . . . 1.0 114.864 -173.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 141.18 148.37 5.07 Favored Glycine 0 C--N 1.345 1.052 0 CA-C-O 122.418 1.01 . . . . 1.0 112.546 177.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.0 p -72.39 -17.15 61.84 Favored 'General case' 0 CA--C 1.516 -0.34 0 O-C-N 120.401 -1.646 . . . . 1.0 113.92 -178.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -115.94 11.28 15.41 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.731 -1.231 . . . . 1.0 110.879 177.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.3 p -61.32 146.15 12.1 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 O-C-N 120.285 -1.509 . . . . 1.0 114.028 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -114.0 5.81 16.25 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 122.376 1.084 . . . . 1.0 112.391 -161.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 31.0 m -76.03 160.6 4.97 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 CA-C-O 123.121 1.439 . . . . 1.0 113.344 -176.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -76.13 150.17 37.24 Favored 'General case' 0 N--CA 1.434 -1.242 0 O-C-N 120.866 -1.146 . . . . 1.0 110.159 172.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.66 -29.96 66.98 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.198 1.799 . . . . 1.0 110.92 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -72.86 -7.52 51.23 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 114.957 1.465 . . . . 1.0 114.957 177.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 50.8 m -70.03 -26.17 63.91 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 119.449 -2.032 . . . . 1.0 111.824 165.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.6 t -63.26 -45.74 97.55 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 O-C-N 120.254 -1.529 . . . . 1.0 111.897 169.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -56.33 -44.17 79.74 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 124.871 1.268 . . . . 1.0 113.064 -179.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 88.1 t -64.35 -44.69 97.24 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 C-N-CA 125.236 1.414 . . . . 1.0 112.983 176.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -72.47 -30.89 64.96 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 119.672 -1.893 . . . . 1.0 113.269 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 11.1 mm -61.34 -42.98 95.72 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 O-C-N 120.482 -1.386 . . . . 1.0 111.707 168.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.59 -45.63 93.3 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 121.025 -1.047 . . . . 1.0 112.256 175.181 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 45.5 mtt-85 -59.56 -42.41 92.36 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 114.869 1.433 . . . . 1.0 114.869 170.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 45.6 tp -62.33 -42.9 99.76 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.841 -1.162 . . . . 1.0 113.216 175.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -60.26 -44.49 95.25 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 119.904 -1.747 . . . . 1.0 113.883 170.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -61.56 -35.35 77.52 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-O 122.567 1.175 . . . . 1.0 113.302 175.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.32 -39.7 93.92 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 114.837 1.421 . . . . 1.0 114.837 171.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.5 mt -96.94 -7.37 33.37 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.639 -1.288 . . . . 1.0 111.624 -173.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.14 -46.17 97.87 Favored Pre-proline 0 C--N 1.349 0.565 0 N-CA-C 116.436 2.013 . . . . 1.0 116.436 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -76.98 -14.72 16.88 Favored 'Trans proline' 0 CA--C 1.518 -0.324 0 CA-C-N 125.747 3.088 . . . . 1.0 110.509 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -85.54 -2.9 86.88 Favored Glycine 0 C--N 1.348 1.208 0 C-N-CA 125.244 1.402 . . . . 1.0 113.788 169.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.6 8.99 87.42 Favored Glycine 0 C--N 1.35 1.342 0 CA-C-N 118.669 1.235 . . . . 1.0 115.737 177.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -118.9 18.61 13.23 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 120.681 -1.482 . . . . 1.0 114.889 -167.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 48.2 p-10 -54.37 -33.2 58.65 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.964 1.306 . . . . 1.0 113.792 162.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -55.32 -35.54 65.26 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 127.838 2.455 . . . . 1.0 114.495 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 60.7 mtp -60.57 -37.53 81.58 Favored 'General case' 0 C--N 1.346 0.446 0 N-CA-C 113.975 1.102 . . . . 1.0 113.975 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 38.3 t -81.46 98.08 3.94 Favored 'Isoleucine or valine' 0 C--N 1.346 0.429 0 C-N-CA 124.243 1.017 . . . . 1.0 109.984 176.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -96.06 155.97 16.53 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.309 1.444 . . . . 1.0 111.417 -175.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.1 m -110.36 138.73 46.35 Favored 'General case' 0 CA--C 1.502 -0.897 0 C-N-CA 124.371 1.068 . . . . 1.0 108.665 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 46.9 t -119.99 103.78 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 108.287 -1.005 . . . . 1.0 108.287 173.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 71.6 ttt-85 -53.01 124.28 13.85 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 125.616 1.566 . . . . 1.0 114.342 -178.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.33 3.15 90.65 Favored Glycine 0 C--N 1.351 1.375 0 C-N-CA 125.414 1.483 . . . . 1.0 114.516 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 69.3 m -135.09 -59.65 0.78 Allowed 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 121.522 -0.987 . . . . 1.0 110.904 -172.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 165.51 -133.9 3.12 Favored Glycine 0 C--N 1.35 1.331 0 O-C-N 119.87 -1.769 . . . . 1.0 113.624 -173.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -141.01 165.75 26.7 Favored 'General case' 0 C--N 1.345 0.374 0 O-C-N 121.756 -0.849 . . . . 1.0 110.348 -172.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -146.29 149.76 34.47 Favored 'General case' 0 C--N 1.347 0.483 0 O-C-N 120.937 -1.102 . . . . 1.0 108.397 -178.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -109.97 139.29 45.23 Favored 'General case' 0 C--N 1.349 0.575 0 N-CA-C 107.602 -1.258 . . . . 1.0 107.602 171.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.8 t -144.6 147.93 33.73 Favored 'General case' 0 CA--C 1.506 -0.747 0 O-C-N 120.409 -1.432 . . . . 1.0 112.864 -171.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 38.6 p -109.67 15.44 22.82 Favored 'General case' 0 CA--C 1.511 -0.554 0 C-N-CA 126.512 1.925 . . . . 1.0 111.028 -177.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 45.8 tpt85 -64.49 -42.38 95.91 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 120.847 -1.158 . . . . 1.0 113.637 171.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 . . . . . 0 C--O 1.26 1.626 0 C-N-CA 124.934 1.294 . . . . 1.0 109.236 179.352 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.556 0 O5'-C5'-C4' 114.03 2.736 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.373 0 OP1-P-OP2 116.687 -1.942 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.834 0 OP1-P-OP2 116.834 -1.844 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.911 0 O5'-C5'-C4' 113.654 2.467 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.904 0 P-O5'-C5' 115.891 -3.131 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.322 0 OP1-P-OP2 115.684 -2.61 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.87 0 P-O3'-C3' 122.92 2.683 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.568 -2.504 0 OP1-P-OP2 116.195 -2.27 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.561 -3.851 1 P-O3'-C3' 126.639 5.783 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.564 -3.572 0 P-O3'-C3' 122.513 2.344 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.821 0 P-O3'-C3' 123.37 3.058 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.299 0 O4'-C1'-C2' 102.562 -3.216 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.912 0 P-O3'-C3' 123.171 2.893 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.258 0 OP1-P-OP2 116.196 -2.27 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.917 0 OP1-P-OP2 116.06 -2.36 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.431 0 C4'-C3'-O3' 116.356 2.753 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.633 0 O5'-C5'-C4' 115.3 3.643 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.518 0 OP1-P-OP2 115.718 -2.588 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.528 0 P-O5'-C5' 117.537 -2.102 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.036 0 OP1-P-OP2 116.083 -2.345 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.156 0 OP1-P-OP2 115.951 -2.432 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.416 0 OP1-P-OP2 116.891 -1.806 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.102 0 OP1-P-OP2 116.057 -2.362 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.48 0 P-O5'-C5' 114.617 -3.927 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.566 -3.434 0 P-O3'-C3' 124.452 3.96 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.426 0 O4'-C1'-C2' 102.362 -3.399 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.592 0 P-O3'-C3' 123.772 3.393 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.143 0 OP1-P-OP2 116.065 -2.357 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.583 0 O4'-C1'-N19 109.939 2.674 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.047 0 O5'-C5'-C4' 113.421 2.301 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.57 -3.114 0 OP1-P-OP2 116.275 -2.217 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.069 0 C4'-C3'-O3' 115.326 2.285 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.4 tpt . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 114.912 1.449 . . . . 1.0 114.912 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.56 14.32 9.48 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 120.845 -1.159 . . . . 1.0 113.375 -174.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.3 m -121.05 -4.64 9.31 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 O-C-N 120.684 -1.26 . . . . 1.0 112.918 -175.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 56.4 mp0 -61.04 145.66 49.99 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 115.516 1.672 . . . . 1.0 115.516 -176.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -95.28 -15.13 23.39 Favored 'General case' 0 C--N 1.347 0.49 0 C-N-CA 125.256 1.422 . . . . 1.0 112.556 -169.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.7 m -152.84 155.41 6.58 Favored 'Isoleucine or valine' 0 C--N 1.344 0.356 0 N-CA-C 104.822 -2.288 . . . . 1.0 104.822 173.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.2 mt -128.53 120.0 51.62 Favored 'Isoleucine or valine' 0 C--N 1.345 0.406 0 N-CA-C 106.776 -1.565 . . . . 1.0 106.776 162.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -109.42 110.4 21.52 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 107.703 -1.221 . . . . 1.0 107.703 169.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 55.8 ttp -143.77 119.12 10.24 Favored 'General case' 0 N--CA 1.449 -0.478 0 O-C-N 120.465 -1.397 . . . . 1.0 111.068 -173.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 54.96 45.6 26.09 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 116.464 2.024 . . . . 1.0 116.464 174.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.9 6.07 88.74 Favored Glycine 0 C--N 1.346 1.096 0 O-C-N 120.81 -1.181 . . . . 1.0 113.437 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.9 tp -122.83 126.68 47.86 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 124.177 0.991 . . . . 1.0 109.158 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.3 p -122.39 126.48 48.07 Favored 'General case' 0 CA--C 1.51 -0.569 0 O-C-N 120.421 -1.424 . . . . 1.0 111.739 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.9 tt -124.91 137.37 54.28 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 125.213 1.405 . . . . 1.0 109.5 -174.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -120.64 117.13 31.48 Favored Pre-proline 0 N--CA 1.449 -0.512 0 N-CA-C 107.759 -1.2 . . . . 1.0 107.759 176.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_exo -64.66 -32.59 57.41 Favored 'Trans proline' 0 CA--C 1.513 -0.538 0 C-N-CA 122.855 2.37 . . . . 1.0 113.901 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.5 m -70.41 -47.92 58.54 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 118.79 0.723 . . . . 1.0 111.561 -174.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.7 p -87.98 -15.03 37.59 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 120.312 -1.492 . . . . 1.0 112.509 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 66.09 28.86 10.19 Favored 'General case' 0 C--N 1.35 0.616 0 C-N-CA 126.674 1.99 . . . . 1.0 113.009 -172.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -97.9 132.41 43.51 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 121.117 -0.989 . . . . 1.0 111.068 -173.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 50.5 t -119.49 126.25 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 C-N-CA 124.875 1.27 . . . . 1.0 107.611 177.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.4 mtp -126.6 146.71 50.05 Favored 'General case' 0 N--CA 1.448 -0.526 0 O-C-N 120.8 -1.188 . . . . 1.0 109.905 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.17 108.33 16.82 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.454 -0.943 . . . . 1.0 108.454 171.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.89 -105.54 0.87 Allowed Glycine 0 C--N 1.349 1.288 0 O-C-N 121.186 -0.946 . . . . 1.0 112.47 -165.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -110.44 4.42 20.55 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.993 1.317 . . . . 1.0 111.576 177.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -98.62 117.14 64.99 Favored Pre-proline 0 C--N 1.35 0.611 0 O-C-N 119.889 -1.757 . . . . 1.0 111.684 -175.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -76.83 139.79 20.03 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 CA-C-N 123.864 2.416 . . . . 1.0 112.004 175.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.4 mt -112.74 166.71 11.11 Favored 'General case' 0 C--N 1.346 0.448 0 C-N-CA 124.98 1.312 . . . . 1.0 110.86 -174.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -128.23 138.35 52.41 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 114.275 1.213 . . . . 1.0 114.275 -175.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 21.6 ptp -162.19 163.22 28.45 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 120.929 -1.107 . . . . 1.0 110.737 177.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.63 175.81 53.42 Favored Glycine 0 C--N 1.35 1.307 0 O-C-N 121.025 -1.047 . . . . 1.0 112.654 171.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -73.69 -33.16 6.84 Favored 'Trans proline' 0 C--N 1.325 -0.686 0 C-N-CA 122.29 1.993 . . . . 1.0 112.555 -168.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.3 m -67.2 -36.55 81.97 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 120.353 1.433 . . . . 1.0 111.692 176.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.03 -41.89 97.27 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.275 -1.516 . . . . 1.0 111.994 170.303 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -61.18 -44.95 96.49 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 121.12 -0.988 . . . . 1.0 112.707 174.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -60.15 -42.84 95.73 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.803 -1.186 . . . . 1.0 113.178 174.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.7 tp -65.12 -45.73 83.88 Favored 'General case' 0 C--N 1.35 0.615 0 N-CA-C 113.567 0.951 . . . . 1.0 113.567 175.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.9 tp -63.64 -42.73 98.1 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.815 -1.178 . . . . 1.0 112.726 176.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -61.04 -41.56 96.82 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.801 -1.187 . . . . 1.0 113.083 175.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -63.16 -46.24 88.1 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 121.303 -0.873 . . . . 1.0 112.692 172.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -63.24 -41.25 99.07 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 120.188 -1.57 . . . . 1.0 114.831 175.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 85.1 mtp -63.95 -33.05 74.84 Favored 'General case' 0 C--N 1.346 0.446 0 O-C-N 120.205 -1.559 . . . . 1.0 114.55 175.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.8 p -79.53 -13.43 59.55 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 120.338 -1.476 . . . . 1.0 112.934 172.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -129.96 65.21 74.73 Favored Pre-proline 0 C--N 1.352 0.678 0 O-C-N 120.564 -1.335 . . . . 1.0 114.016 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -76.09 149.83 32.89 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.964 2.443 . . . . 1.0 112.218 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 63.57 42.12 6.74 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 127.273 2.229 . . . . 1.0 115.213 173.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -146.64 137.31 23.95 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 120.815 -1.178 . . . . 1.0 108.152 174.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.9 t -89.52 127.09 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-O 122.587 1.184 . . . . 1.0 110.854 -176.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -115.49 128.74 56.22 Favored 'General case' 0 CA--C 1.502 -0.882 0 C-N-CA 125.379 1.471 . . . . 1.0 107.221 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 42.4 p -64.86 161.5 18.16 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 123.876 0.87 . . . . 1.0 111.575 171.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -60.43 -37.08 79.77 Favored 'General case' 0 C--N 1.346 0.439 0 O-C-N 120.277 -1.515 . . . . 1.0 111.915 174.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -60.0 -43.44 95.19 Favored 'General case' 0 C--N 1.348 0.523 0 N-CA-C 114.33 1.233 . . . . 1.0 114.33 170.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -64.38 -41.62 96.59 Favored 'General case' 0 C--N 1.362 1.122 0 O-C-N 119.594 -1.941 . . . . 1.0 112.007 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.39 -42.17 98.29 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.794 -1.191 . . . . 1.0 112.743 173.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 72.3 mt -59.75 -40.26 87.52 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.514 -1.366 . . . . 1.0 113.832 171.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -63.37 -48.48 77.74 Favored 'General case' 0 C--N 1.348 0.536 0 O-C-N 120.376 -1.452 . . . . 1.0 113.029 173.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -78.26 -39.99 38.46 Favored 'General case' 0 C--N 1.345 0.375 0 N-CA-C 115.86 1.8 . . . . 1.0 115.86 -175.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 73.5 t -106.33 -29.51 2.7 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 O-C-N 120.377 -1.452 . . . . 1.0 112.051 -167.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 9.8 m-90 -100.62 -13.98 18.34 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 120.378 -1.451 . . . . 1.0 110.252 177.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.37 22.68 28.72 Favored Glycine 0 C--N 1.346 1.108 0 O-C-N 120.53 -1.356 . . . . 1.0 114.686 166.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.5 m 79.52 -47.76 0.37 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.479 1.512 . . . . 1.0 113.321 168.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -91.04 34.65 0.92 Allowed 'General case' 0 C--N 1.345 0.385 0 C-N-CA 125.891 1.676 . . . . 1.0 111.685 -174.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 77.6 t -125.65 133.73 68.42 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.846 0 N-CA-C 105.338 -2.097 . . . . 1.0 105.338 174.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -118.41 6.09 11.8 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 122.679 1.228 . . . . 1.0 113.837 -148.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.2 m -41.18 157.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 130.419 3.488 . . . . 1.0 116.506 172.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -58.56 162.93 3.48 Favored 'General case' 0 C--N 1.347 0.46 0 O-C-N 120.737 -1.227 . . . . 1.0 113.617 164.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -57.96 -32.6 68.01 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.633 -1.292 . . . . 1.0 113.255 173.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -91.96 0.44 57.47 Favored 'General case' 0 N--CA 1.447 -0.624 0 O-C-N 120.221 -1.549 . . . . 1.0 114.573 -160.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.2 t -73.21 -21.19 60.71 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 119.967 -1.708 . . . . 1.0 110.979 164.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.6 t -63.14 -47.5 92.13 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 O-C-N 120.077 -1.64 . . . . 1.0 111.706 168.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.78 -44.39 90.69 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 126.103 1.761 . . . . 1.0 112.828 176.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 69.5 t -63.76 -43.12 97.87 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 C-N-CA 124.546 1.139 . . . . 1.0 112.84 173.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -66.09 -36.04 82.12 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 119.738 -1.851 . . . . 1.0 113.53 174.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.5 mm -60.28 -41.45 87.08 Favored 'Isoleucine or valine' 0 C--N 1.348 0.515 0 O-C-N 120.27 -1.519 . . . . 1.0 112.723 170.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -60.45 -45.03 95.17 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 120.511 -1.368 . . . . 1.0 112.609 171.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -62.07 -39.35 92.11 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.684 -1.26 . . . . 1.0 113.798 174.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.5 tp -64.16 -45.13 89.8 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 124.713 1.205 . . . . 1.0 113.974 173.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -59.86 -43.19 94.8 Favored 'General case' 0 C--N 1.355 0.804 0 O-C-N 119.813 -1.804 . . . . 1.0 113.721 171.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -59.79 -41.66 91.64 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 121.031 -1.043 . . . . 1.0 113.004 173.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.4 93.61 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 115.144 1.535 . . . . 1.0 115.144 174.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.9 mt -97.99 0.63 46.71 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 121.045 -1.034 . . . . 1.0 112.251 -173.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -61.31 -45.87 95.09 Favored Pre-proline 0 CA--C 1.538 0.5 0 CA-C-O 117.055 -1.45 . . . . 1.0 114.891 172.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -56.94 124.15 15.57 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 CA-C-N 125.369 2.953 . . . . 1.0 112.57 159.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.36 -0.27 89.16 Favored Glycine 0 C--N 1.342 0.916 0 C-N-CA 125.899 1.714 . . . . 1.0 115.334 -172.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 69.3 39.37 81.75 Favored Glycine 0 C--N 1.349 1.303 0 N-CA-C 117.622 1.809 . . . . 1.0 117.622 167.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -109.74 4.45 21.86 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 119.44 1.62 . . . . 1.0 113.011 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -54.7 -33.18 60.59 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.447 -1.408 . . . . 1.0 114.117 167.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -58.64 -27.42 64.73 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 116.764 2.135 . . . . 1.0 116.764 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 59.1 mtp -66.85 -35.84 80.96 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 125.026 1.33 . . . . 1.0 113.88 176.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.8 t -78.36 100.1 3.22 Favored 'Isoleucine or valine' 0 C--N 1.349 0.563 0 C-N-CA 126.234 1.814 . . . . 1.0 110.975 -176.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -121.69 153.08 38.65 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 120.349 -1.469 . . . . 1.0 112.417 -166.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 66.6 m -113.94 134.87 54.55 Favored 'General case' 0 CA--C 1.505 -0.76 0 C-N-CA 124.173 0.989 . . . . 1.0 111.256 -168.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.4 t -114.18 106.92 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 C-N-CA 124.819 1.248 . . . . 1.0 107.992 177.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.6 ttt85 -60.31 129.05 39.75 Favored 'General case' 0 C--N 1.346 0.451 0 C-N-CA 125.431 1.493 . . . . 1.0 113.34 -176.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.13 2.77 90.63 Favored Glycine 0 C--N 1.348 1.236 0 O-C-N 121.091 -1.006 . . . . 1.0 114.072 -178.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 85.7 m -133.49 -63.77 0.74 Allowed 'General case' 0 C--N 1.349 0.559 0 O-C-N 121.152 -1.205 . . . . 1.0 110.334 -176.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 161.85 -130.13 2.24 Favored Glycine 0 C--N 1.347 1.176 0 O-C-N 120.434 -1.416 . . . . 1.0 111.946 -170.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -141.03 160.87 39.15 Favored 'General case' 0 C--N 1.346 0.452 0 O-C-N 121.239 -1.153 . . . . 1.0 112.102 -166.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -144.11 153.0 41.69 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 125.978 1.711 . . . . 1.0 108.466 -173.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -121.7 132.01 54.4 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.393 -1.442 . . . . 1.0 108.186 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.3 t -125.57 141.95 51.76 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.356 -1.465 . . . . 1.0 114.352 -171.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.7 p -101.5 14.25 32.53 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 126.833 2.053 . . . . 1.0 112.095 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 52.3 mtm180 -103.9 -6.29 21.47 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.411 -1.431 . . . . 1.0 112.674 177.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 . . . . . 0 C--O 1.261 1.665 0 O-C-N 120.707 -1.245 . . . . 1.0 109.058 -170.693 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.184 0 O5'-C5'-C4' 113.652 2.466 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.927 0 P-O3'-C3' 123.413 3.094 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.605 0 O5'-C5'-C4' 113.13 2.093 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.57 -3.044 0 P-O5'-C5' 116.364 -2.835 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.221 0 OP1-P-OP2 116.668 -1.955 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.517 0 P-O3'-C3' 123.55 3.208 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.779 0 P-O3'-C3' 122.994 2.745 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.958 0 P-O5'-C5' 116.014 -3.054 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.558 -4.102 0 P-O3'-C3' 123.807 3.423 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.565 -3.5 0 P-O3'-C3' 124.239 3.782 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.568 -3.272 1 P-O3'-C3' 130.569 9.058 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ' DT' . . . . . 1.388 ' O2 ' ' C2 ' ' B' ' 12' ' ' ' DT' . . . . . . . . 1 P--O3' 1.557 -4.176 1 P-O3'-C3' 128.216 7.097 . . . . 1.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.564 -3.574 0 OP1-P-OP2 116.503 -2.064 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.82 0 O4'-C1'-C2' 101.732 -3.971 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.356 1 P-O3'-C3' 124.791 4.243 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.501 0 OP1-P-OP2 116.046 -2.369 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.392 0 O5'-C5'-C4' 114.797 3.284 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.736 0 P-O3'-C3' 123.488 3.157 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.833 0 P-O3'-C3' 121.906 1.838 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.512 0 OP1-P-OP2 115.82 -2.52 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.715 0 OP1-P-OP2 115.846 -2.502 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.894 0 P-O5'-C5' 115.57 -3.331 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.559 -4.039 0 P-O3'-C3' 123.622 3.268 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.563 -3.65 0 P-O5'-C5' 115.991 -3.068 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.567 -3.311 1 P-O3'-C3' 124.987 4.406 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.564 -3.617 1 O4'-C1'-C2' 101.46 -4.218 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.56 -3.901 1 P-O3'-C3' 125.659 4.966 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.278 0 OP1-P-OP2 116.234 -2.244 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.57 -3.047 0 O4'-C1'-C2' 103.171 -2.663 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.771 0 OP1-P-OP2 115.744 -2.571 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.544 0 OP1-P-OP2 116.211 -2.259 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.132 0 OP1-P-OP2 115.98 -2.413 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 mmt . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 114.246 1.202 . . . . 1.0 114.246 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.03 140.94 58.9 Favored 'General case' 0 C--N 1.35 0.599 0 N-CA-C 115.231 1.567 . . . . 1.0 115.231 173.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.3 m -62.85 152.39 7.41 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 C-N-CA 124.819 1.248 . . . . 1.0 114.26 172.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -62.7 -42.98 99.92 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 119.574 -1.954 . . . . 1.0 115.053 -178.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -73.33 -24.06 60.32 Favored 'General case' 0 C--N 1.349 0.563 0 N-CA-C 116.945 2.202 . . . . 1.0 116.945 -168.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 p -65.41 137.57 24.72 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 O-C-N 120.654 -1.279 . . . . 1.0 113.465 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.1 mt -104.46 123.61 58.47 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.39 0 N-CA-C 107.004 -1.48 . . . . 1.0 107.004 -178.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -123.13 124.08 42.26 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 121.325 -0.859 . . . . 1.0 111.335 -171.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 36.2 mtt -140.59 117.69 11.23 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.235 1.014 . . . . 1.0 110.918 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 53.19 44.08 30.72 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 115.162 1.542 . . . . 1.0 115.162 169.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.96 -1.21 85.37 Favored Glycine 0 C--N 1.35 1.343 0 O-C-N 120.443 -1.41 . . . . 1.0 116.029 -175.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.0 tp -105.66 127.59 53.15 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 120.711 -1.464 . . . . 1.0 108.272 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.0 p -127.49 129.56 47.64 Favored 'General case' 0 C--N 1.344 0.355 0 O-C-N 120.749 -1.219 . . . . 1.0 111.621 -177.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 tt -122.51 129.17 51.69 Favored 'General case' 0 CA--C 1.511 -0.53 0 C-N-CA 124.949 1.3 . . . . 1.0 109.27 -176.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -109.44 113.15 58.6 Favored Pre-proline 0 N--CA 1.448 -0.569 0 N-CA-C 107.515 -1.291 . . . . 1.0 107.515 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -66.21 -30.06 46.52 Favored 'Trans proline' 0 CA--C 1.508 -0.784 0 C-N-CA 122.658 2.239 . . . . 1.0 113.065 -175.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 83.0 m -84.19 -39.51 19.27 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-O 122.127 0.965 . . . . 1.0 109.511 -174.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.6 t -79.13 -16.94 55.95 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.371 -1.455 . . . . 1.0 113.38 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 68.0 27.52 7.06 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 125.826 1.65 . . . . 1.0 112.913 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -125.25 135.65 52.75 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 123.388 0.675 . . . . 1.0 111.434 -163.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.3 t -116.92 128.91 74.21 Favored 'Isoleucine or valine' 0 C--N 1.346 0.441 0 C-N-CA 124.374 1.07 . . . . 1.0 108.867 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 80.3 mtp -122.56 142.4 50.66 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.871 -1.143 . . . . 1.0 109.856 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.09 124.85 40.18 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 121.153 -0.967 . . . . 1.0 109.042 176.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.25 -106.28 1.38 Allowed Glycine 0 C--N 1.35 1.332 0 O-C-N 120.64 -1.288 . . . . 1.0 112.048 -172.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -114.73 4.27 14.95 Favored 'General case' 0 C--N 1.343 0.292 0 O-C-N 121.336 -1.097 . . . . 1.0 112.706 170.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -109.19 130.7 22.44 Favored Pre-proline 0 C--N 1.35 0.592 0 O-C-N 120.305 -1.497 . . . . 1.0 112.531 -167.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.79 139.34 19.72 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 122.503 2.135 . . . . 1.0 112.641 170.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.9 mt -101.22 167.4 10.23 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 125.143 1.377 . . . . 1.0 111.262 -177.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -123.28 129.39 51.29 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 120.612 -1.305 . . . . 1.0 111.844 -177.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.2 ptp -154.5 168.31 27.15 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 120.948 -1.095 . . . . 1.0 111.504 174.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.83 174.56 51.48 Favored Glycine 0 C--N 1.35 1.346 0 O-C-N 120.783 -1.198 . . . . 1.0 113.45 172.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -80.2 -32.31 1.41 Allowed 'Trans proline' 0 C--N 1.326 -0.644 0 C-N-CA 121.889 1.726 . . . . 1.0 112.378 -167.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.7 m -66.0 -37.26 85.48 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 122.68 1.229 . . . . 1.0 110.944 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -62.51 -42.97 99.87 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 124.936 1.294 . . . . 1.0 112.045 175.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -60.78 -42.57 97.8 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 124.601 1.16 . . . . 1.0 113.212 174.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -60.07 -44.65 94.58 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 120.62 -1.3 . . . . 1.0 113.418 177.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.8 tp -64.47 -43.32 94.57 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 121.392 -0.817 . . . . 1.0 113.124 175.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.0 tp -62.77 -43.28 99.22 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 120.715 -1.241 . . . . 1.0 114.009 177.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -61.66 -40.35 94.63 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.565 -1.334 . . . . 1.0 112.353 174.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -62.13 -44.03 97.53 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 124.021 0.929 . . . . 1.0 112.506 172.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -61.77 -44.56 96.65 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 120.105 -1.622 . . . . 1.0 114.723 173.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 98.2 mtp -74.98 -17.28 60.56 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 119.693 -1.88 . . . . 1.0 113.477 -178.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.3 p -94.46 -0.47 54.71 Favored 'General case' 0 C--N 1.345 0.387 0 O-C-N 120.221 -1.549 . . . . 1.0 110.895 172.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -140.88 62.59 17.45 Favored Pre-proline 0 C--N 1.351 0.645 0 O-C-N 121.129 -0.982 . . . . 1.0 112.904 174.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -78.61 150.7 24.79 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 123.605 2.87 . . . . 1.0 111.877 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 64.01 37.37 9.31 Favored 'General case' 0 C--N 1.347 0.459 0 C-N-CA 127.051 2.14 . . . . 1.0 112.437 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -137.32 126.99 25.33 Favored 'General case' 0 C--N 1.346 0.426 0 O-C-N 120.911 -1.118 . . . . 1.0 109.593 -170.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 18.6 t -92.87 129.73 42.98 Favored 'Isoleucine or valine' 0 C--N 1.345 0.407 0 CA-C-O 122.816 1.293 . . . . 1.0 111.324 -175.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -129.38 132.0 46.95 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 125.852 1.661 . . . . 1.0 108.014 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.4 p -74.08 165.41 25.19 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.175 1.39 . . . . 1.0 111.105 169.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 75.4 mtt85 -59.7 -38.12 80.74 Favored 'General case' 0 C--N 1.35 0.629 0 O-C-N 120.486 -1.384 . . . . 1.0 111.895 175.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -57.82 -44.37 86.36 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.647 1.179 . . . . 1.0 113.584 172.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -66.88 -41.22 87.59 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 120.039 -1.663 . . . . 1.0 112.496 175.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.27 -39.77 95.52 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 120.194 -1.566 . . . . 1.0 113.979 174.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.0 mt -60.4 -45.2 94.43 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.567 -1.333 . . . . 1.0 112.771 171.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -60.43 -45.61 93.01 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 113.369 0.878 . . . . 1.0 113.369 175.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -79.64 -45.12 19.66 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 115.848 1.796 . . . . 1.0 115.848 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.7 t -88.83 -46.33 15.49 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 O-C-N 120.167 -1.583 . . . . 1.0 112.503 -170.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 13.8 m-90 -84.49 -42.78 15.22 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 120.87 -1.144 . . . . 1.0 111.03 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 113.94 166.77 16.03 Favored Glycine 0 C--N 1.346 1.127 0 CA-C-O 122.497 1.054 . . . . 1.0 113.516 -173.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.9 p -97.69 -9.64 26.38 Favored 'General case' 0 C--N 1.345 0.412 0 O-C-N 120.594 -1.533 . . . . 1.0 114.409 -169.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -96.01 -2.48 46.8 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 119.685 -1.884 . . . . 1.0 109.346 169.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.3 t -92.79 146.21 6.67 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 C-N-CA 125.869 1.668 . . . . 1.0 108.895 174.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -145.63 140.37 27.29 Favored 'General case' 0 C--N 1.346 0.423 0 O-C-N 120.592 -1.317 . . . . 1.0 109.856 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.1 m -155.33 170.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.453 0 N-CA-C 104.748 -2.316 . . . . 1.0 104.748 -178.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -70.62 157.47 37.89 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.835 -1.166 . . . . 1.0 110.625 172.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -64.63 -28.78 69.85 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 125.959 1.704 . . . . 1.0 110.811 -176.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -15.02 61.43 Favored 'General case' 0 N--CA 1.434 -1.243 0 C-N-CA 126.548 1.939 . . . . 1.0 113.849 -179.324 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.3 m -64.89 -30.36 71.36 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 119.798 -1.814 . . . . 1.0 111.884 168.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.2 t -65.7 -47.12 87.17 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 O-C-N 120.491 -1.381 . . . . 1.0 112.367 168.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.38 -44.95 84.89 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 125.398 1.479 . . . . 1.0 113.734 178.289 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.86 -42.8 97.04 Favored 'Isoleucine or valine' 0 C--N 1.347 0.476 0 C-N-CA 124.689 1.196 . . . . 1.0 112.207 174.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 53.3 m-70 -66.65 -34.48 77.96 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 119.651 -1.906 . . . . 1.0 114.287 174.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.9 mm -60.91 -43.03 94.94 Favored 'Isoleucine or valine' 0 C--N 1.344 0.336 0 O-C-N 120.172 -1.58 . . . . 1.0 112.354 171.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -61.08 -45.15 95.9 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.908 -1.12 . . . . 1.0 112.894 171.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -62.18 -39.51 92.96 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 120.47 -1.394 . . . . 1.0 113.877 176.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 41.5 tp -64.72 -45.32 87.05 Favored 'General case' 0 C--N 1.349 0.554 0 N-CA-C 113.885 1.068 . . . . 1.0 113.885 172.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -60.96 -43.52 98.63 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 120.087 -1.633 . . . . 1.0 113.569 172.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -60.15 -37.35 79.85 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 120.423 -1.423 . . . . 1.0 113.044 174.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.57 -38.45 91.18 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 115.355 1.613 . . . . 1.0 115.355 172.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.0 mt -94.57 -6.83 42.74 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 120.769 -1.207 . . . . 1.0 111.643 -174.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -61.92 -43.81 88.19 Favored Pre-proline 0 C--N 1.349 0.56 0 C-N-CA 125.816 1.646 . . . . 1.0 114.796 174.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -57.32 -24.97 62.92 Favored 'Trans proline' 0 CA--C 1.515 -0.448 0 C-N-CA 123.328 2.685 . . . . 1.0 114.395 168.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -95.59 0.97 63.56 Favored Glycine 0 C--N 1.346 1.115 0 C-N-CA 124.346 0.974 . . . . 1.0 114.183 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 60.67 28.65 68.3 Favored Glycine 0 C--N 1.351 1.374 0 CA-C-N 119.071 1.435 . . . . 1.0 115.359 -178.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 47.1 m80 -127.56 13.06 6.98 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 121.147 -1.208 . . . . 1.0 112.343 -174.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -56.38 -31.36 63.76 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 125.823 1.649 . . . . 1.0 114.19 167.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -56.55 -29.05 61.51 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 127.853 2.461 . . . . 1.0 116.253 178.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 40.9 mtp -65.28 -34.04 77.4 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 119.707 -1.871 . . . . 1.0 113.86 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 40.8 t -76.1 111.41 12.58 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 C-N-CA 125.525 1.53 . . . . 1.0 111.067 174.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.434 HE22 ' HB2' ' A' ' 104' ' ' PHE . 87.4 mt-30 -117.23 150.0 39.48 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 120.399 -1.438 . . . . 1.0 110.785 -172.175 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 27.9 m -111.44 137.3 49.42 Favored 'General case' 0 CA--C 1.51 -0.58 0 C-N-CA 123.884 0.873 . . . . 1.0 109.42 -176.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.6 t -118.95 109.71 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 O-C-N 120.77 -1.206 . . . . 1.0 107.895 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 44.3 ttt85 -54.79 111.68 0.87 Allowed 'General case' 0 C--N 1.354 0.783 0 N-CA-C 115.164 1.542 . . . . 1.0 115.164 -172.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.01 0.82 89.41 Favored Glycine 0 C--N 1.35 1.306 0 O-C-N 120.463 -1.398 . . . . 1.0 113.741 175.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.2 m -119.99 -36.19 3.33 Favored 'General case' 0 CA--C 1.51 -0.576 0 C-N-CA 123.976 0.91 . . . . 1.0 109.593 -174.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 138.65 -129.03 4.33 Favored Glycine 0 C--N 1.351 1.365 0 O-C-N 120.533 -1.354 . . . . 1.0 112.733 177.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -139.18 165.44 27.14 Favored 'General case' 0 CA--C 1.509 -0.604 0 O-C-N 121.649 -0.913 . . . . 1.0 111.098 -172.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -145.68 147.05 31.56 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.59 1.156 . . . . 1.0 108.557 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -117.49 141.68 48.06 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 106.767 -1.568 . . . . 1.0 106.767 174.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.0 t -143.84 141.0 30.12 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 120.41 -1.431 . . . . 1.0 112.711 -173.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.1 p -104.99 -4.69 21.75 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 123.875 0.87 . . . . 1.0 111.829 174.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -110.83 -17.3 13.37 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.919 -1.113 . . . . 1.0 113.652 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.434 ' HB2' HE22 ' A' ' 91' ' ' GLN . 29.2 m-85 . . . . . 0 C--O 1.26 1.652 0 O-C-N 121.207 -0.933 . . . . 1.0 109.848 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.552 5.169 0 O5'-C5'-C4' 115.14 3.529 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.399 0 P-O3'-C3' 124.223 3.769 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.278 0 OP1-P-OP2 116.904 -1.798 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.082 0 C5'-C4'-C3' 118.835 2.756 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.105 0 P-O5'-C5' 116.225 -2.922 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.946 0 OP1-P-OP2 115.274 -2.884 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.091 0 OP1-P-OP2 116.594 -2.004 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.049 0 P-O5'-C5' 116.53 -2.731 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.99 0 OP1-P-OP2 114.739 -3.241 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.956 0 OP1-P-OP2 116.045 -2.37 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.568 -3.268 1 P-O3'-C3' 126.536 5.696 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.574 4.578 1 O4'-C1'-C2' 100.11 -5.445 . . . . 1.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.269 0 OP1-P-OP2 115.83 -2.513 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.848 0 O5'-C5'-C4' 113.323 2.231 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.606 0 P-O3'-C3' 122.648 2.457 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.785 0 OP1-P-OP2 116.074 -2.351 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.4 0 O5'-C5'-C4' 114.104 2.789 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.573 -2.833 1 O4'-C1'-C2' 101.495 -4.186 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.559 -3.977 1 P-O3'-C3' 125.426 4.772 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.933 0 O4'-C1'-C2' 103.485 -2.378 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.557 -4.182 1 P-O3'-C3' 124.632 4.11 . . . . 1.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.372 0 P-O3'-C3' 123.404 3.087 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.56 -3.926 0 OP1-P-OP2 116.0 -2.4 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.564 -3.544 0 OP1-P-OP2 115.534 -2.711 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.548 0 P-O3'-C3' 124.071 3.642 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.721 1 O4'-C1'-C2' 100.988 -4.648 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.642 0 P-O3'-C3' 122.757 2.548 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.566 -3.437 0 P-O3'-C3' 124.113 3.677 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.565 -3.54 0 P-O3'-C3' 123.203 2.919 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.651 0 OP1-P-OP2 116.439 -2.107 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.705 0 OP1-P-OP2 116.275 -2.217 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.507 0 O4'-C1'-C2' 102.231 -3.517 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 113.15 0.796 . . . . 1.0 113.15 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.37 -45.16 40.94 Favored 'General case' 0 C--N 1.35 0.587 0 O-C-N 120.134 -1.604 . . . . 1.0 113.272 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.2 m -61.93 145.99 12.6 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 N-CA-C 114.19 1.182 . . . . 1.0 114.19 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -68.61 -39.33 80.89 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.365 -1.46 . . . . 1.0 113.157 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.276 28.1 tt0 97.87 127.7 0.01 OUTLIER 'General case' 0 C--N 1.354 0.789 0 C-N-CA 129.217 3.007 . . . . 1.0 112.309 178.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.2 t -61.26 138.14 22.45 Favored 'Isoleucine or valine' 0 C--N 1.349 0.554 0 C-N-CA 124.995 1.318 . . . . 1.0 112.705 176.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.6 mt -111.67 117.79 55.99 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 N-CA-C 106.83 -1.544 . . . . 1.0 106.83 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -127.08 119.43 26.53 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 121.342 -0.849 . . . . 1.0 110.308 -174.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -162.02 149.01 13.89 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-O 121.946 0.879 . . . . 1.0 111.161 172.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 50.62 49.62 20.5 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 127.207 2.203 . . . . 1.0 115.882 177.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.05 3.0 73.98 Favored Glycine 0 C--N 1.348 1.245 0 N-CA-C 115.293 0.877 . . . . 1.0 115.293 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.0 tp -122.33 130.54 53.23 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 123.592 0.757 . . . . 1.0 110.908 -174.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.6 p -127.82 126.14 41.11 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 122.864 1.316 . . . . 1.0 112.62 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.3 tt -124.26 126.38 45.98 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 120.222 -1.549 . . . . 1.0 110.019 -175.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -112.43 109.61 53.64 Favored Pre-proline 0 C--N 1.349 0.55 0 N-CA-C 107.378 -1.341 . . . . 1.0 107.378 177.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.78 -29.84 34.86 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 122.576 2.184 . . . . 1.0 111.698 175.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.3 m -63.16 -41.21 99.22 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 125.02 1.328 . . . . 1.0 112.094 -178.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.9 m -101.18 -2.89 30.18 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 121.024 -1.048 . . . . 1.0 112.846 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 61.87 38.77 14.35 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 125.314 1.446 . . . . 1.0 114.428 -178.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.3 ttt180 -124.26 133.54 53.47 Favored 'General case' 0 N--CA 1.444 -0.742 0 O-C-N 121.49 -0.756 . . . . 1.0 112.494 -171.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.2 t -112.54 130.37 66.42 Favored 'Isoleucine or valine' 0 C--N 1.346 0.425 0 N-CA-C 107.123 -1.436 . . . . 1.0 107.123 172.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.8 mtp -124.82 146.65 49.15 Favored 'General case' 0 N--CA 1.443 -0.811 0 O-C-N 121.131 -0.98 . . . . 1.0 109.179 174.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.71 115.36 21.28 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 106.297 -1.742 . . . . 1.0 106.297 168.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.83 -129.71 35.89 Favored Glycine 0 C--N 1.349 1.279 0 O-C-N 121.532 -0.73 . . . . 1.0 112.399 -165.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -97.26 10.43 39.55 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 121.408 -1.054 . . . . 1.0 112.046 178.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -112.78 122.65 35.58 Favored Pre-proline 0 N--CA 1.445 -0.694 0 O-C-N 121.052 -1.03 . . . . 1.0 111.202 -172.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.93 145.67 32.01 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.771 2.314 . . . . 1.0 111.65 175.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.9 mt -103.47 159.6 15.45 Favored 'General case' 0 CA--C 1.512 -0.498 0 C-N-CA 124.049 0.94 . . . . 1.0 111.091 -178.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -119.24 126.22 51.0 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.852 0.834 . . . . 1.0 110.556 -177.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.0 ptp -159.5 171.37 19.8 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 107.161 -1.422 . . . . 1.0 107.161 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.66 173.02 43.28 Favored Glycine 0 C--N 1.352 1.431 0 O-C-N 120.761 -1.212 . . . . 1.0 113.165 175.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -63.11 -37.89 49.26 Favored 'Trans proline' 0 C--N 1.33 -0.422 0 C-N-CA 123.307 2.671 . . . . 1.0 114.526 -178.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.7 m -64.7 -41.61 95.89 Favored 'General case' 0 C--N 1.347 0.494 0 C-N-CA 123.98 0.912 . . . . 1.0 111.831 176.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -62.66 -42.01 99.38 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.769 -1.207 . . . . 1.0 112.639 171.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -59.71 -47.56 85.15 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 124.267 1.027 . . . . 1.0 112.955 175.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -63.84 -41.54 97.8 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 120.786 -1.196 . . . . 1.0 113.101 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.1 tp -62.02 -43.93 97.79 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 121.04 -1.037 . . . . 1.0 113.106 172.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.4 tp -63.8 -40.99 97.96 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.731 -1.231 . . . . 1.0 113.224 174.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -58.81 -44.67 90.87 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 120.526 -1.359 . . . . 1.0 112.192 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.58 -46.12 91.2 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 121.281 -0.887 . . . . 1.0 112.934 174.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -62.89 -42.17 99.68 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 115.035 1.495 . . . . 1.0 115.035 173.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 87.9 mtp -72.52 -19.33 61.54 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 119.522 -1.986 . . . . 1.0 114.048 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.0 t -98.59 6.64 46.93 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.769 -1.207 . . . . 1.0 111.197 170.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -141.64 62.66 15.41 Favored Pre-proline 0 C--N 1.356 0.868 0 O-C-N 120.362 -1.461 . . . . 1.0 113.861 170.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -77.3 155.23 32.61 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 123.159 2.573 . . . . 1.0 112.042 177.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 61.61 45.81 7.8 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 127.104 2.162 . . . . 1.0 113.729 177.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -150.33 140.59 22.23 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.445 -0.946 . . . . 1.0 108.445 172.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.4 t -84.94 137.22 21.21 Favored 'Isoleucine or valine' 0 C--N 1.346 0.451 0 CA-C-O 122.45 1.119 . . . . 1.0 110.428 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -125.95 126.31 44.15 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 106.751 -1.574 . . . . 1.0 106.751 173.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.9 p -64.21 158.65 22.57 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 121.451 -0.781 . . . . 1.0 111.589 169.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -58.6 -36.51 74.14 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 120.318 -1.489 . . . . 1.0 111.759 174.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -59.43 -43.44 93.1 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 113.929 1.085 . . . . 1.0 113.929 171.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -65.79 -42.51 90.64 Favored 'General case' 0 C--N 1.361 1.079 0 O-C-N 119.847 -1.783 . . . . 1.0 112.68 173.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.55 -42.19 98.46 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.967 -1.083 . . . . 1.0 112.594 176.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 58.6 mt -59.12 -48.9 79.91 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 121.332 -0.855 . . . . 1.0 112.812 171.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -62.0 -44.42 96.76 Favored 'General case' 0 C--N 1.346 0.451 0 O-C-N 120.906 -1.121 . . . . 1.0 113.615 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -72.29 -42.17 65.82 Favored 'General case' 0 C--N 1.347 0.463 0 N-CA-C 116.716 2.117 . . . . 1.0 116.716 177.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.3 t -104.39 -36.31 3.88 Favored 'Isoleucine or valine' 0 C--N 1.351 0.655 0 O-C-N 120.152 -1.592 . . . . 1.0 112.773 -167.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 10.2 m-90 -90.36 -41.17 11.65 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 120.803 -1.186 . . . . 1.0 109.843 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 125.34 162.01 11.2 Favored Glycine 0 C--N 1.346 1.122 0 CA-C-O 123.541 1.634 . . . . 1.0 113.816 -177.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.2 p -83.92 -20.21 33.36 Favored 'General case' 0 CA--C 1.514 -0.425 0 O-C-N 120.789 -1.418 . . . . 1.0 112.081 -177.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -100.58 22.32 12.0 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.337 1.055 . . . . 1.0 110.348 175.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.5 t -113.6 136.79 48.88 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.69 0 N-CA-C 107.391 -1.337 . . . . 1.0 107.391 177.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -125.93 9.0 7.48 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 122.953 1.358 . . . . 1.0 113.76 -149.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.9 m -53.12 154.69 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 128.352 2.661 . . . . 1.0 115.578 175.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -59.86 157.65 12.01 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 125.248 1.419 . . . . 1.0 113.166 165.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -62.31 -28.47 69.76 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 120.657 -1.277 . . . . 1.0 113.358 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -72.55 -17.94 61.67 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 120.623 -1.298 . . . . 1.0 114.115 -169.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.4 ' O ' ' HD2' ' A' ' 73' ' ' HIS . 10.9 t -70.43 -20.92 62.87 Favored 'General case' 0 C--N 1.354 0.792 0 O-C-N 119.728 -1.857 . . . . 1.0 112.418 172.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.0 t -64.42 -47.61 88.69 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 O-C-N 119.538 -1.976 . . . . 1.0 111.78 167.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.23 -44.0 92.35 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 124.929 1.292 . . . . 1.0 112.796 177.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 69.2 t -64.1 -43.71 97.52 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 C-N-CA 125.2 1.4 . . . . 1.0 113.178 175.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.4 ' HD2' ' O ' ' A' ' 69' ' ' THR . 86.5 m-70 -68.78 -34.68 75.96 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 119.598 -1.939 . . . . 1.0 112.938 175.274 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.8 mm -61.17 -41.28 88.86 Favored 'Isoleucine or valine' 0 C--N 1.35 0.618 0 O-C-N 120.307 -1.496 . . . . 1.0 112.858 170.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.8 ttt-85 -58.64 -44.39 90.06 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 120.493 -1.38 . . . . 1.0 113.027 173.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 68.2 mtt-85 -62.4 -42.28 99.31 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 124.623 1.169 . . . . 1.0 113.925 174.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.9 tp -62.81 -44.95 94.81 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.141 0.976 . . . . 1.0 113.089 176.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -59.22 -43.08 92.34 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.275 -1.515 . . . . 1.0 114.566 171.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -59.85 -39.07 83.94 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 121.001 -1.062 . . . . 1.0 113.731 178.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.21 -40.06 95.28 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 114.539 1.311 . . . . 1.0 114.539 171.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 66.7 mt -90.32 -11.03 41.93 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 119.906 -1.746 . . . . 1.0 112.813 -173.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -66.98 -41.72 37.65 Favored Pre-proline 0 C--N 1.344 0.359 0 N-CA-C 117.126 2.269 . . . . 1.0 117.126 -177.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -59.96 -34.47 95.08 Favored 'Trans proline' 0 CA--C 1.521 -0.163 0 CA-C-N 124.902 2.787 . . . . 1.0 114.956 176.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -86.15 -4.21 84.3 Favored Glycine 0 C--N 1.347 1.168 0 CA-C-N 119.074 0.852 . . . . 1.0 114.831 172.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 73.57 33.62 58.08 Favored Glycine 0 C--N 1.347 1.18 0 O-C-N 120.645 -1.503 . . . . 1.0 115.695 177.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -107.65 -6.16 17.05 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 120.871 -1.37 . . . . 1.0 112.087 178.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -56.1 -40.61 73.94 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 126.665 1.986 . . . . 1.0 115.127 175.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -70.37 -14.41 62.56 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 126.923 2.089 . . . . 1.0 114.387 -170.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -93.54 2.4 56.42 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 121.243 -0.911 . . . . 1.0 112.049 173.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.6 t -91.36 96.13 6.07 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 N-CA-C 107.09 -1.448 . . . . 1.0 107.09 164.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -97.77 156.16 16.7 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 120.785 -1.197 . . . . 1.0 111.765 -168.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 86.6 m -111.59 140.44 46.2 Favored 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 123.644 0.778 . . . . 1.0 109.953 -177.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.8 t -116.5 110.56 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 C-N-CA 124.765 1.226 . . . . 1.0 108.042 174.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 53.2 ttt-85 -58.37 127.15 30.68 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 125.789 1.636 . . . . 1.0 113.403 -176.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.21 3.98 90.56 Favored Glycine 0 C--N 1.349 1.256 0 C-N-CA 124.609 1.099 . . . . 1.0 114.085 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 96.2 m -139.7 -63.08 0.51 Allowed 'General case' 0 CA--C 1.51 -0.561 0 CA-C-N 118.556 1.178 . . . . 1.0 111.695 -171.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 169.68 -130.93 2.14 Favored Glycine 0 C--N 1.347 1.187 0 O-C-N 119.762 -1.836 . . . . 1.0 113.385 -172.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -145.93 164.92 30.49 Favored 'General case' 0 C--N 1.346 0.43 0 O-C-N 121.535 -0.98 . . . . 1.0 111.344 -165.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 70.3 ttt-85 -148.39 145.5 28.08 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 124.806 1.243 . . . . 1.0 109.002 -174.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -117.99 144.99 45.06 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 120.286 -1.509 . . . . 1.0 109.794 176.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.7 t -140.58 163.7 32.14 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 120.391 -1.443 . . . . 1.0 111.637 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 35.3 p -107.76 -1.76 20.65 Favored 'General case' 0 CA--C 1.512 -0.507 0 C-N-CA 124.489 1.116 . . . . 1.0 109.299 169.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -143.8 -110.79 0.11 Allowed 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 124.267 1.027 . . . . 1.0 108.372 -178.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 . . . . . 0 C--O 1.262 1.742 0 O-C-N 120.955 -1.091 . . . . 1.0 111.841 -178.35 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.201 0 O5'-C5'-C4' 115.049 3.464 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.534 0 OP1-P-OP2 116.233 -2.245 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.564 -3.624 0 P-O5'-C5' 116.252 -2.905 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.569 -3.18 0 P-O5'-C5' 117.216 -2.303 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.571 -3.001 0 OP1-P-OP2 116.54 -2.04 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.638 0 OP1-P-OP2 116.475 -2.083 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.619 0 P-O3'-C3' 123.77 3.392 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.545 0 O4'-C1'-C2' 102.845 -2.959 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.252 0 OP1-P-OP2 115.856 -2.496 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.561 -3.827 1 P-O3'-C3' 124.836 4.28 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.897 0 OP1-P-OP2 116.432 -2.112 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.565 -3.501 0 P-O3'-C3' 124.27 3.808 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.647 0 N19-C1'-C2' 117.566 2.104 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.24 0 O4'-C1'-C2' 102.607 -3.175 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.299 0 OP1-P-OP2 116.296 -2.203 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.205 0 C4'-C3'-O3' 115.116 2.189 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.255 0 O5'-C5'-C4' 114.424 3.017 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.455 0 OP1-P-OP2 115.282 -2.878 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.061 0 OP1-P-OP2 116.151 -2.299 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.567 -3.337 0 OP1-P-OP2 116.244 -2.237 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.052 0 OP1-P-OP2 116.278 -2.215 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.275 0 P-O5'-C5' 116.585 -2.697 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.564 -3.56 0 P-O3'-C3' 123.812 3.427 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.566 -3.38 0 P-O5'-C5' 115.339 -3.476 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.569 -3.153 0 P-O3'-C3' 122.992 2.744 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.898 0 P-O5'-C5' 115.266 -3.521 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.955 0 P-O5'-C5' 116.69 -2.631 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.26 0 P-O3'-C3' 123.417 3.098 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.004 0 OP1-P-OP2 116.11 -2.327 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.024 0 OP1-P-OP2 115.816 -2.523 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.283 0 OP1-P-OP2 116.018 -2.388 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.157 0 OP1-P-OP2 115.949 -2.434 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 CA--C 1.537 0.447 0 N-CA-C 117.033 2.235 . . . . 1.0 117.033 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.5 mt -109.41 123.54 65.38 Favored 'Isoleucine or valine' 0 C--N 1.346 0.445 0 N-CA-C 106.274 -1.75 . . . . 1.0 106.274 173.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -127.71 117.28 21.63 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 121.161 -0.962 . . . . 1.0 110.979 177.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 18.5 ptm -147.59 134.35 20.03 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 120.734 -1.229 . . . . 1.0 109.781 -174.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 47.59 45.49 17.7 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 116.01 1.856 . . . . 1.0 116.01 177.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.77 5.85 86.69 Favored Glycine 0 C--N 1.348 1.242 0 O-C-N 120.041 -1.662 . . . . 1.0 115.864 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.9 tp -119.07 127.81 53.75 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 118.858 1.329 . . . . 1.0 109.047 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 87.9 p -124.33 128.82 49.67 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-O 122.488 1.137 . . . . 1.0 112.105 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.8 tt -125.26 126.54 45.31 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 120.473 -1.392 . . . . 1.0 109.11 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -109.86 110.9 58.99 Favored Pre-proline 0 N--CA 1.448 -0.535 0 O-C-N 121.1 -1.0 . . . . 1.0 108.392 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -66.52 -28.89 45.2 Favored 'Trans proline' 0 CA--C 1.511 -0.652 0 C-N-CA 122.691 2.261 . . . . 1.0 113.39 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.4 m -72.17 -45.04 62.04 Favored 'General case' 0 C--N 1.348 0.522 0 CA-C-O 122.003 0.906 . . . . 1.0 111.16 -177.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -89.83 -9.9 47.41 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 120.445 -1.409 . . . . 1.0 112.538 -174.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 35.8 m170 61.58 44.97 8.59 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 125.523 1.529 . . . . 1.0 111.627 -172.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -123.62 122.21 37.56 Favored 'General case' 0 N--CA 1.447 -0.605 0 O-C-N 121.555 -0.716 . . . . 1.0 111.234 -165.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.2 t -112.01 129.39 67.56 Favored 'Isoleucine or valine' 0 C--N 1.346 0.428 0 N-CA-C 107.146 -1.427 . . . . 1.0 107.146 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 46.5 mtp -135.27 145.53 47.65 Favored 'General case' 0 N--CA 1.446 -0.626 0 O-C-N 120.78 -1.2 . . . . 1.0 108.903 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.25 120.28 32.64 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 107.387 -1.338 . . . . 1.0 107.387 175.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.78 29.57 72.59 Favored Glycine 0 C--N 1.348 1.228 0 O-C-N 121.144 -0.972 . . . . 1.0 114.465 -175.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 63.27 34.72 13.05 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 126.781 2.032 . . . . 1.0 114.118 -173.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -130.53 129.99 22.87 Favored Pre-proline 0 N--CA 1.45 -0.444 0 N-CA-C 107.258 -1.386 . . . . 1.0 107.258 171.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -68.2 155.63 68.71 Favored 'Trans proline' 0 C--N 1.332 -0.328 0 C-N-CA 123.025 2.483 . . . . 1.0 115.165 -169.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.8 mt -124.79 155.94 38.55 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 106.676 -1.601 . . . . 1.0 106.676 169.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -126.8 133.27 50.84 Favored 'General case' 0 C--N 1.343 0.291 0 O-C-N 121.595 -0.691 . . . . 1.0 111.307 -169.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.9 ptp -160.71 158.44 28.72 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 122.173 0.987 . . . . 1.0 112.155 -178.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.96 174.56 43.23 Favored Glycine 0 C--N 1.349 1.256 0 C-N-CA 124.184 0.897 . . . . 1.0 115.098 175.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -78.77 -30.99 2.65 Favored 'Trans proline' 0 C--N 1.326 -0.654 0 C-N-CA 122.182 1.922 . . . . 1.0 112.879 -167.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.0 m -66.55 -39.41 88.52 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 120.303 1.411 . . . . 1.0 110.812 172.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -43.72 94.37 Favored 'General case' 0 C--N 1.348 0.539 0 C-N-CA 125.463 1.505 . . . . 1.0 111.893 174.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -61.07 -45.31 95.26 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 121.052 -1.03 . . . . 1.0 113.044 174.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -64.49 -41.29 96.55 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.503 -1.373 . . . . 1.0 113.711 178.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.6 tp -62.22 -43.14 99.5 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 120.584 -1.322 . . . . 1.0 113.02 172.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.4 tp -62.61 -42.44 99.58 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.845 -1.16 . . . . 1.0 113.299 173.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -60.62 -43.01 97.99 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 120.571 -1.331 . . . . 1.0 112.846 173.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -62.15 -46.02 90.84 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 120.749 -1.219 . . . . 1.0 112.816 173.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -64.43 -43.28 94.84 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.321 -1.487 . . . . 1.0 114.797 174.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 97.3 mtp -72.41 -20.86 61.35 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 119.667 -1.896 . . . . 1.0 113.667 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.2 p -84.99 -12.54 53.01 Favored 'General case' 0 C--N 1.345 0.405 0 O-C-N 120.351 -1.468 . . . . 1.0 111.533 170.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -133.2 62.76 62.96 Favored Pre-proline 0 C--N 1.35 0.63 0 N-CA-C 114.735 1.383 . . . . 1.0 114.735 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -74.22 149.72 41.08 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.621 2.214 . . . . 1.0 111.404 172.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.462 ' CD ' HH21 ' A' ' 99' ' ' ARG . 8.5 tp10 68.15 48.04 0.97 Allowed 'General case' 0 C--N 1.349 0.553 0 C-N-CA 125.971 1.708 . . . . 1.0 113.205 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -151.5 140.45 21.03 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 120.081 -1.637 . . . . 1.0 110.101 172.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.3 t -88.8 134.95 26.95 Favored 'Isoleucine or valine' 0 C--N 1.346 0.453 0 O-C-N 120.785 -1.197 . . . . 1.0 110.363 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -126.34 126.6 44.18 Favored 'General case' 0 CA--C 1.507 -0.697 0 C-N-CA 125.153 1.381 . . . . 1.0 108.802 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 81.9 p -74.0 164.44 26.63 Favored 'General case' 0 C--N 1.345 0.4 0 O-C-N 121.263 -0.898 . . . . 1.0 110.977 170.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -60.52 -32.87 71.88 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.291 -1.506 . . . . 1.0 112.483 177.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.56 -44.51 93.24 Favored 'General case' 0 C--N 1.35 0.593 0 N-CA-C 114.769 1.396 . . . . 1.0 114.769 170.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -65.31 -41.92 93.57 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.648 -1.282 . . . . 1.0 112.176 177.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.44 -41.78 98.98 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 121.249 -0.907 . . . . 1.0 112.836 174.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 66.2 mt -60.67 -47.4 86.43 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 120.496 -1.378 . . . . 1.0 113.94 173.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -64.36 -43.59 94.07 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 120.71 -1.244 . . . . 1.0 113.456 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -71.5 -48.31 49.79 Favored 'General case' 0 C--N 1.349 0.577 0 N-CA-C 115.961 1.838 . . . . 1.0 115.961 175.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.3 t -94.91 -53.33 8.43 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.499 0 O-C-N 119.65 -1.906 . . . . 1.0 111.85 -165.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 16.1 m-90 -71.66 -44.08 64.94 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 121.14 -0.975 . . . . 1.0 111.442 176.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 124.82 153.17 8.48 Favored Glycine 0 C--N 1.345 1.045 0 CA-C-O 122.472 1.04 . . . . 1.0 112.303 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 52.8 p -64.36 -43.25 95.12 Favored 'General case' 0 C--N 1.342 0.281 0 C-N-CA 125.766 1.626 . . . . 1.0 114.091 -176.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -101.84 7.26 41.72 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 120.679 -1.263 . . . . 1.0 110.545 -173.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.6 t -89.38 140.85 15.17 Favored 'Isoleucine or valine' 0 C--N 1.346 0.448 0 C-N-CA 125.628 1.571 . . . . 1.0 108.35 175.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -128.77 127.01 41.14 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 122.466 1.127 . . . . 1.0 112.878 -171.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.5 m -154.54 174.83 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.448 0 C-N-CA 127.58 2.352 . . . . 1.0 105.513 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -74.68 157.39 35.39 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 124.243 1.017 . . . . 1.0 112.371 169.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.19 -29.35 69.75 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 125.189 1.396 . . . . 1.0 112.218 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -88.04 6.02 38.14 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.698 -1.251 . . . . 1.0 112.517 -176.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.8 m -62.57 -36.36 82.45 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 119.816 -1.802 . . . . 1.0 111.447 156.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.4 t -61.68 -45.36 98.83 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 O-C-N 120.411 -1.43 . . . . 1.0 112.453 176.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.06 -46.23 79.02 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 126.165 1.786 . . . . 1.0 113.887 178.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 80.1 t -65.02 -42.15 93.92 Favored 'Isoleucine or valine' 0 C--N 1.346 0.444 0 C-N-CA 124.327 1.051 . . . . 1.0 112.114 175.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -68.24 -35.71 78.35 Favored 'General case' 0 C--N 1.345 0.372 0 O-C-N 119.998 -1.689 . . . . 1.0 113.879 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 9.7 mm -60.13 -42.26 89.43 Favored 'Isoleucine or valine' 0 C--N 1.348 0.501 0 O-C-N 120.604 -1.31 . . . . 1.0 112.083 170.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -61.38 -44.08 97.77 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 120.771 -1.206 . . . . 1.0 112.79 171.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.68 -41.5 97.65 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.839 -1.163 . . . . 1.0 113.889 175.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.7 tp -65.2 -45.45 84.73 Favored 'General case' 0 C--N 1.348 0.523 0 N-CA-C 113.565 0.95 . . . . 1.0 113.565 173.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -60.64 -44.23 96.62 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 119.926 -1.734 . . . . 1.0 113.539 172.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -58.59 -40.4 83.08 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 124.749 1.219 . . . . 1.0 112.698 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.65 -38.16 90.07 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 115.451 1.648 . . . . 1.0 115.451 173.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.8 mt -95.14 -9.81 32.43 Favored 'General case' 0 C--N 1.358 0.966 0 O-C-N 120.623 -1.298 . . . . 1.0 111.623 -174.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -60.1 -45.96 97.92 Favored Pre-proline 0 C--N 1.346 0.456 0 CA-C-O 116.491 -1.719 . . . . 1.0 115.546 177.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -76.56 -14.88 17.69 Favored 'Trans proline' 0 CA--C 1.515 -0.467 0 CA-C-N 125.181 2.886 . . . . 1.0 110.534 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -89.16 1.49 82.76 Favored Glycine 0 C--N 1.345 1.076 0 C-N-CA 124.696 1.141 . . . . 1.0 113.322 171.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 74.57 15.16 80.64 Favored Glycine 0 C--N 1.351 1.378 0 CA-C-N 118.664 1.232 . . . . 1.0 115.65 174.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -122.11 9.0 9.83 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 121.071 -1.252 . . . . 1.0 114.235 -169.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -54.83 -35.38 63.89 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 115.374 1.62 . . . . 1.0 115.374 169.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.5 ptt-85 -69.76 -13.65 62.39 Favored 'General case' 0 C--N 1.349 0.569 0 N-CA-C 116.131 1.9 . . . . 1.0 116.131 -174.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 58.9 mtp -66.03 -36.25 82.75 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 120.681 -1.262 . . . . 1.0 113.089 168.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 56.3 t -80.42 98.06 3.38 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 C-N-CA 126.753 2.021 . . . . 1.0 110.418 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -114.67 161.07 18.6 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 124.521 1.129 . . . . 1.0 112.536 -168.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.1 m -116.71 131.09 57.04 Favored 'General case' 0 CA--C 1.508 -0.643 0 C-N-CA 124.252 1.021 . . . . 1.0 111.718 -168.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.0 t -110.25 103.03 14.84 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 N-CA-C 107.353 -1.351 . . . . 1.0 107.353 174.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.15 128.67 36.9 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.71 -1.244 . . . . 1.0 113.039 -176.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.45 5.61 89.39 Favored Glycine 0 C--N 1.351 1.371 0 C-N-CA 124.137 0.875 . . . . 1.0 114.438 -178.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 57.3 m -139.93 -60.18 0.54 Allowed 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 118.2 1.0 . . . . 1.0 110.884 -178.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 170.16 -133.43 2.81 Favored Glycine 0 C--N 1.349 1.274 0 O-C-N 119.879 -1.763 . . . . 1.0 113.582 -173.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -139.23 163.1 33.34 Favored 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 121.699 -0.883 . . . . 1.0 109.809 -170.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.462 HH21 ' CD ' ' A' ' 46' ' ' GLU . 56.7 ttt-85 -146.37 150.29 35.4 Favored 'General case' 0 C--N 1.347 0.48 0 N-CA-C 107.947 -1.131 . . . . 1.0 107.947 -177.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -118.39 139.89 50.69 Favored 'General case' 0 C--N 1.348 0.534 0 O-C-N 120.405 -1.434 . . . . 1.0 107.77 176.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.7 t -150.53 147.19 27.17 Favored 'General case' 0 CA--C 1.509 -0.628 0 O-C-N 120.662 -1.274 . . . . 1.0 109.766 -171.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.5 p . . . . . 0 C--N 1.346 0.416 0 N-CA-C 113.781 1.03 . . . . 1.0 113.781 173.157 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.45 -0.447 0 N-CA-C 104.509 -2.404 . . . . 1.0 104.509 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.0 mt -116.11 124.13 72.08 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 N-CA-C 106.938 -1.504 . . . . 1.0 106.938 -178.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -124.21 120.61 32.77 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-O 122.432 1.11 . . . . 1.0 111.549 -173.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 47.3 mtt -133.68 124.33 26.55 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.865 1.266 . . . . 1.0 109.038 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 59.66 32.62 21.61 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 115.387 1.625 . . . . 1.0 115.387 167.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.42 3.87 90.55 Favored Glycine 0 C--N 1.352 1.441 0 O-C-N 120.078 -1.639 . . . . 1.0 115.839 -172.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.9 tp -112.24 124.84 53.32 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.896 1.278 . . . . 1.0 108.426 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.6 p -125.98 136.13 52.64 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 120.521 -1.362 . . . . 1.0 113.292 -177.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 tt -123.71 130.7 53.04 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 125.502 1.521 . . . . 1.0 110.459 -173.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -117.02 114.27 39.15 Favored Pre-proline 0 C--O 1.238 0.468 0 N-CA-C 107.29 -1.374 . . . . 1.0 107.29 177.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -65.29 -31.48 52.96 Favored 'Trans proline' 0 CA--C 1.513 -0.548 0 C-N-CA 122.666 2.244 . . . . 1.0 114.742 -178.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.9 m -73.88 -45.07 53.15 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 122.211 1.005 . . . . 1.0 110.335 -176.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.8 t -79.46 -17.27 54.58 Favored 'General case' 0 C--N 1.345 0.377 0 O-C-N 120.666 -1.271 . . . . 1.0 112.89 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.5 m170 63.54 36.78 10.88 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 125.599 1.56 . . . . 1.0 112.273 -173.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -117.49 126.0 51.85 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 121.393 -0.817 . . . . 1.0 111.021 -165.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.5 t -112.17 117.1 54.37 Favored 'Isoleucine or valine' 0 C--N 1.347 0.493 0 C-N-CA 124.738 1.215 . . . . 1.0 107.84 176.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 13.4 tpt -119.78 125.17 47.93 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 120.852 -1.155 . . . . 1.0 109.267 -172.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.98 107.71 16.04 Favored 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 120.384 -1.448 . . . . 1.0 108.639 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.19 -105.68 0.52 Allowed Glycine 0 C--N 1.351 1.385 0 O-C-N 120.577 -1.327 . . . . 1.0 114.217 -172.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.4 8.27 35.73 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.319 1.448 . . . . 1.0 113.266 176.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -119.19 126.41 27.06 Favored Pre-proline 0 C--N 1.349 0.58 0 O-C-N 120.194 -1.566 . . . . 1.0 113.611 -169.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -92.15 119.66 0.5 Allowed 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 121.795 1.663 . . . . 1.0 110.007 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.8 mt -84.85 165.23 17.89 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 124.197 0.999 . . . . 1.0 113.165 -172.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -127.55 126.93 43.06 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 121.194 -0.941 . . . . 1.0 111.288 -175.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.6 ptp -158.44 162.19 37.53 Favored 'General case' 0 N--CA 1.447 -0.583 0 O-C-N 121.517 -0.739 . . . . 1.0 110.27 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.8 157.02 52.43 Favored Glycine 0 C--N 1.352 1.425 0 O-C-N 120.66 -1.275 . . . . 1.0 113.952 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -49.61 -44.65 34.61 Favored 'Trans proline' 0 C--N 1.33 -0.42 0 C-N-CA 124.657 3.571 . . . . 1.0 115.353 170.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 89.8 m -61.67 -40.12 93.83 Favored 'General case' 0 C--N 1.348 0.5 0 C-N-CA 124.511 1.124 . . . . 1.0 112.275 175.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -63.5 -40.84 98.11 Favored 'General case' 0 C--N 1.354 0.788 0 O-C-N 120.31 -1.494 . . . . 1.0 113.072 170.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -60.82 -46.45 90.47 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 121.002 -1.061 . . . . 1.0 112.82 175.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -62.12 -41.17 97.98 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.781 -1.2 . . . . 1.0 112.446 175.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.4 tp -62.45 -45.04 94.89 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 120.704 -1.247 . . . . 1.0 113.341 174.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.8 tp -64.12 -39.6 94.39 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 120.748 -1.22 . . . . 1.0 113.171 174.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -60.14 -43.2 95.9 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.468 -1.395 . . . . 1.0 112.853 172.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -62.62 -43.95 97.52 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.815 -1.178 . . . . 1.0 112.681 172.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -61.58 -44.16 97.54 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 120.176 -1.578 . . . . 1.0 114.811 173.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 96.9 mtp -78.26 -13.14 59.98 Favored 'General case' 0 C--N 1.346 0.418 0 O-C-N 119.396 -2.065 . . . . 1.0 113.733 -178.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.5 p -93.99 -4.55 49.44 Favored 'General case' 0 C--N 1.345 0.389 0 O-C-N 120.388 -1.445 . . . . 1.0 110.767 169.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -144.97 65.4 12.04 Favored Pre-proline 0 C--N 1.353 0.738 0 N-CA-C 114.633 1.346 . . . . 1.0 114.633 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -74.76 149.0 37.25 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 123.1 2.533 . . . . 1.0 112.372 173.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . 0.286 23.5 mt-10 59.95 47.61 9.7 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 128.877 2.871 . . . . 1.0 116.441 176.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.9 mmt180 -137.31 164.6 28.18 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 105.854 -1.906 . . . . 1.0 105.854 168.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.2 t -113.97 133.76 58.95 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 N-CA-C 108.885 -0.783 . . . . 1.0 108.885 -177.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -126.7 129.3 48.15 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 124.485 1.114 . . . . 1.0 108.922 -178.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.9 p -72.21 164.3 26.47 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.988 0.899 . . . . 1.0 111.829 169.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -59.76 -35.83 75.4 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 120.581 -1.324 . . . . 1.0 112.467 174.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 57.8 mp0 -60.86 -42.09 97.17 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 120.496 -1.377 . . . . 1.0 114.365 169.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -72.82 -33.43 66.18 Favored 'General case' 0 C--O 1.275 2.441 0 CA-C-N 121.156 1.798 . . . . 1.0 110.693 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 1.602 ' CA ' ' CB ' ' A' ' 54' ' ' LEU 0.804 21.2 mt -85.73 -16.26 39.52 Favored 'General case' 2 CA--C 1.643 4.523 1 CA-C-O 105.682 -6.866 . . . . 1.0 104.153 -179.718 . . . . . . . . 5 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . 0.278 45.8 mt -74.54 -32.13 62.35 Favored 'General case' 0 N--CA 1.39 -3.429 1 CA-C-N 129.771 5.714 . . . . 1.0 112.774 166.434 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -66.23 -43.06 87.71 Favored 'General case' 0 N--CA 1.425 -1.677 0 N-CA-C 114.128 1.159 . . . . 1.0 114.128 173.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -90.37 -25.16 20.57 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 115.472 1.656 . . . . 1.0 115.472 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 99.4 t -105.78 -62.19 2.22 Favored 'Isoleucine or valine' 0 C--N 1.348 0.539 0 O-C-N 120.868 -1.145 . . . . 1.0 111.169 -173.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 7.5 m-90 -65.98 -42.19 90.17 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 124.194 0.998 . . . . 1.0 112.418 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 110.22 174.49 20.6 Favored Glycine 0 C--N 1.345 1.081 0 CA-C-O 122.889 1.271 . . . . 1.0 112.59 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.0 p -98.32 0.05 44.79 Favored 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 120.833 -1.392 . . . . 1.0 111.813 -168.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -94.51 7.71 44.68 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 125.64 1.576 . . . . 1.0 110.077 172.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.0 t -117.76 136.61 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-O 123.145 1.45 . . . . 1.0 109.662 -171.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -135.7 6.06 3.18 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.053 -1.43 . . . . 1.0 114.007 -155.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.6 m -47.92 168.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 129.021 2.929 . . . . 1.0 117.45 175.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -80.38 170.74 15.98 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.573 -1.33 . . . . 1.0 110.109 173.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -74.74 -19.89 60.05 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 119.592 -1.943 . . . . 1.0 111.464 -171.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.61 -6.31 57.6 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.197 -1.564 . . . . 1.0 114.52 -169.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.3 t -72.81 -18.97 61.41 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 119.85 -1.781 . . . . 1.0 111.36 164.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.3 t -64.66 -48.87 82.91 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 O-C-N 119.737 -1.852 . . . . 1.0 111.625 164.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -58.7 -44.39 90.3 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 120.977 -1.077 . . . . 1.0 112.933 177.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.19 -46.19 96.5 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 C-N-CA 124.728 1.211 . . . . 1.0 112.813 175.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -70.72 -29.41 65.68 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 119.23 -2.168 . . . . 1.0 112.928 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.8 mm -60.93 -42.91 94.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.703 0 O-C-N 120.224 -1.547 . . . . 1.0 112.062 170.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -60.34 -43.84 96.08 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 120.715 -1.241 . . . . 1.0 112.191 170.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 52.5 mtp85 -62.12 -37.84 86.66 Favored 'General case' 0 C--N 1.344 0.348 0 O-C-N 120.639 -1.288 . . . . 1.0 114.172 175.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 37.7 tp -65.6 -45.65 82.35 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 120.611 -1.306 . . . . 1.0 113.285 172.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -59.23 -43.17 92.36 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.042 -1.661 . . . . 1.0 114.101 170.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -59.9 -42.03 92.96 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.718 -1.239 . . . . 1.0 113.194 175.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.15 -38.86 92.59 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 114.971 1.471 . . . . 1.0 114.971 174.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.7 mt -93.29 -3.53 53.4 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 120.454 -1.404 . . . . 1.0 111.212 -174.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -62.47 -47.89 87.87 Favored Pre-proline 0 C--N 1.351 0.655 0 CA-C-O 116.69 -1.624 . . . . 1.0 114.885 174.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -77.87 -15.13 15.15 Favored 'Trans proline' 0 CA--C 1.515 -0.459 0 CA-C-N 124.681 2.708 . . . . 1.0 110.188 176.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.416 ' O ' ' CD2' ' A' ' 86' ' ' HIS . . . -83.91 -0.99 89.88 Favored Glycine 0 C--N 1.345 1.067 0 C-N-CA 125.007 1.289 . . . . 1.0 113.888 172.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.79 25.17 71.71 Favored Glycine 0 C--N 1.352 1.418 0 N-CA-C 116.237 1.255 . . . . 1.0 116.237 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.416 ' CD2' ' O ' ' A' ' 84' ' ' GLY . 95.4 m-70 -134.54 9.29 3.67 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 121.191 -1.182 . . . . 1.0 114.073 -172.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -52.8 -33.76 50.39 Favored 'General case' 0 C--N 1.35 0.594 0 N-CA-C 115.325 1.602 . . . . 1.0 115.325 172.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.4 ptm85 -58.28 -28.16 64.71 Favored 'General case' 0 C--N 1.35 0.591 0 N-CA-C 116.128 1.899 . . . . 1.0 116.128 -177.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 44.8 mtm -71.64 -15.77 62.24 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.493 -1.38 . . . . 1.0 114.723 -174.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.2 t -84.71 108.36 16.7 Favored 'Isoleucine or valine' 0 C--N 1.35 0.596 0 O-C-N 120.986 -1.071 . . . . 1.0 109.272 173.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -104.32 156.72 17.68 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.682 1.193 . . . . 1.0 110.888 -176.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 85.5 m -119.27 132.54 55.92 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 122.4 1.095 . . . . 1.0 109.799 -174.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.0 t -113.61 105.1 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 N-CA-C 107.928 -1.138 . . . . 1.0 107.928 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 43.4 ttt85 -55.67 121.81 9.98 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 125.521 1.528 . . . . 1.0 113.504 -176.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.06 -0.47 79.03 Favored Glycine 0 C--N 1.349 1.266 0 C-N-CA 125.554 1.55 . . . . 1.0 114.577 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 26.2 m -126.54 -46.14 1.61 Allowed 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 118.61 1.205 . . . . 1.0 111.189 -174.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 155.91 -139.89 6.9 Favored Glycine 0 C--N 1.35 1.354 0 O-C-N 119.733 -1.854 . . . . 1.0 113.192 -176.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -134.56 162.83 31.17 Favored 'General case' 0 C--N 1.344 0.35 0 O-C-N 121.584 -0.951 . . . . 1.0 110.352 -172.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 21.8 ttt85 -143.02 149.29 38.08 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 125.395 1.478 . . . . 1.0 108.19 -174.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -120.66 135.36 55.14 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 120.473 -1.392 . . . . 1.0 108.884 176.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.5 t -145.4 125.69 13.88 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.633 -1.292 . . . . 1.0 111.352 -176.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.5 p . . . . . 0 C--N 1.349 0.57 0 C-N-CA 124.385 1.074 . . . . 1.0 113.78 177.039 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.9 m . . . . . 0 C--O 1.236 0.382 0 N-CA-C 115.603 1.705 . . . . 1.0 115.603 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 75.5 mt -117.04 121.33 67.53 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 N-CA-C 106.582 -1.636 . . . . 1.0 106.582 162.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -123.86 122.74 38.81 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 125.134 1.374 . . . . 1.0 111.094 -176.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 16.8 ptp -150.62 139.59 20.98 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 121.123 -0.986 . . . . 1.0 110.441 174.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.481 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 21.2 mm100 51.39 38.34 21.53 Favored 'General case' 0 C--N 1.348 0.522 0 C-N-CA 126.559 1.944 . . . . 1.0 116.061 176.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.04 3.59 90.65 Favored Glycine 0 C--N 1.349 1.261 0 O-C-N 120.602 -1.311 . . . . 1.0 114.914 -178.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.8 tp -114.27 128.27 56.28 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 124.722 1.209 . . . . 1.0 108.46 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.6 t -133.0 134.07 43.98 Favored 'General case' 0 CA--C 1.512 -0.492 0 O-C-N 120.736 -1.228 . . . . 1.0 110.702 -175.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 tt -127.76 133.99 49.5 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.434 1.494 . . . . 1.0 109.872 -173.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -116.54 113.25 40.69 Favored Pre-proline 0 C--N 1.348 0.529 0 O-C-N 121.201 -0.937 . . . . 1.0 109.033 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -61.68 -36.09 76.78 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 123.211 2.607 . . . . 1.0 113.728 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.2 m -66.29 -43.43 86.34 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 123.83 0.852 . . . . 1.0 112.856 -173.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.1 p -100.31 -2.6 33.23 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 121.059 -1.026 . . . . 1.0 112.917 -176.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.2 m170 68.66 26.63 6.2 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 126.185 1.794 . . . . 1.0 113.961 175.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -121.08 134.76 55.27 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 121.689 -0.632 . . . . 1.0 112.13 -164.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.8 t -116.54 128.28 73.93 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 C-N-CA 125.332 1.453 . . . . 1.0 109.984 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 96.8 mmm -118.78 140.45 49.93 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.338 1.455 . . . . 1.0 110.651 -175.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.87 106.45 12.07 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 121.211 -0.931 . . . . 1.0 108.63 168.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.91 -121.44 25.07 Favored Glycine 0 C--N 1.348 1.211 0 O-C-N 119.602 -1.937 . . . . 1.0 112.701 -160.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -98.51 3.09 48.14 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 121.285 -1.126 . . . . 1.0 111.779 174.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -85.53 124.62 71.18 Favored Pre-proline 0 C--N 1.35 0.626 0 C-N-CA 124.987 1.315 . . . . 1.0 111.687 -177.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -93.44 122.44 0.45 Allowed 'Trans proline' 0 N--CA 1.458 -0.566 0 CA-C-N 121.802 1.679 . . . . 1.0 111.001 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.4 mt -92.64 165.19 13.1 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.691 0.796 . . . . 1.0 111.298 -175.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -131.1 133.86 46.04 Favored 'General case' 0 C--N 1.345 0.392 0 O-C-N 120.951 -1.093 . . . . 1.0 111.466 -176.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 22.6 ptp -154.16 174.07 15.24 Favored 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 121.134 -0.979 . . . . 1.0 109.895 176.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -86.98 169.1 39.87 Favored Glycine 0 C--N 1.353 1.493 0 O-C-N 120.844 -1.16 . . . . 1.0 111.993 175.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -69.94 -30.41 21.49 Favored 'Trans proline' 0 C--N 1.324 -0.724 0 C-N-CA 122.985 2.457 . . . . 1.0 112.411 -173.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.2 m -67.26 -42.45 83.87 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 119.196 0.907 . . . . 1.0 112.183 172.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.4 -42.56 98.92 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 120.913 -1.117 . . . . 1.0 111.716 172.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -60.44 -46.76 88.88 Favored 'General case' 0 C--N 1.351 0.647 0 C-N-CA 123.974 0.91 . . . . 1.0 113.32 175.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -64.29 -40.1 95.26 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 120.291 -1.505 . . . . 1.0 113.332 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.8 tp -63.48 -44.64 93.82 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 124.817 1.247 . . . . 1.0 112.972 171.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.4 tp -62.54 -40.16 95.89 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 120.876 -1.14 . . . . 1.0 112.643 175.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -58.17 -40.74 82.22 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 120.431 -1.418 . . . . 1.0 112.838 172.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -64.99 -43.05 93.84 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.783 -1.198 . . . . 1.0 113.262 172.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -62.89 -43.17 99.52 Favored 'General case' 0 C--N 1.347 0.491 0 O-C-N 120.43 -1.418 . . . . 1.0 114.584 173.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 62.5 mmm -61.55 -32.31 72.37 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 120.503 -1.373 . . . . 1.0 113.407 177.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.5 p -87.41 -3.47 59.02 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 120.247 -1.533 . . . . 1.0 113.067 173.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 65.2 m80 -140.44 64.87 25.42 Favored Pre-proline 0 C--N 1.354 0.772 0 O-C-N 120.221 -1.549 . . . . 1.0 114.332 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -75.75 156.88 39.77 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.965 2.443 . . . . 1.0 112.887 176.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.406 ' CD ' HH21 ' A' ' 99' ' ' ARG . 5.9 mm-40 62.34 39.55 12.12 Favored 'General case' 0 C--N 1.348 0.537 0 C-N-CA 126.586 1.955 . . . . 1.0 115.115 169.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -151.75 146.03 25.44 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.053 -1.091 . . . . 1.0 108.053 177.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.9 t -92.14 133.33 33.91 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 O-C-N 120.381 -1.45 . . . . 1.0 111.279 -172.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -123.8 127.77 48.57 Favored 'General case' 0 CA--C 1.507 -0.687 0 C-N-CA 125.082 1.353 . . . . 1.0 107.886 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 86.0 p -72.3 162.88 28.85 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 122.075 0.94 . . . . 1.0 111.01 171.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 74.8 mtt85 -60.14 -35.97 76.49 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 120.628 -1.295 . . . . 1.0 111.623 175.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -60.02 -43.57 95.16 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 114.354 1.242 . . . . 1.0 114.354 171.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -64.86 -43.75 91.99 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 119.986 -1.697 . . . . 1.0 111.822 175.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.01 -42.61 99.34 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.94 -1.1 . . . . 1.0 113.441 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.1 mt -61.73 -47.97 82.84 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 120.214 -1.554 . . . . 1.0 114.613 176.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -68.98 -40.91 78.52 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 120.693 -1.254 . . . . 1.0 113.79 177.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -67.82 -42.19 81.89 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 115.56 1.689 . . . . 1.0 115.56 174.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.3 t -99.86 -60.54 2.73 Favored 'Isoleucine or valine' 0 C--N 1.35 0.609 0 O-C-N 120.079 -1.638 . . . . 1.0 111.792 -170.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 8.4 m-90 -67.55 -43.04 81.67 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 121.012 -1.055 . . . . 1.0 112.147 -177.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 130.91 158.76 9.35 Favored Glycine 0 C--N 1.345 1.067 0 CA-C-O 122.928 1.293 . . . . 1.0 113.264 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 36.8 p -82.65 -20.17 36.8 Favored 'General case' 0 CA--C 1.515 -0.368 0 O-C-N 120.778 -1.424 . . . . 1.0 114.152 -172.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -115.46 15.19 16.76 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-O 122.532 1.158 . . . . 1.0 110.099 178.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.8 t -92.85 142.71 12.77 Favored 'Isoleucine or valine' 0 C--N 1.345 0.387 0 C-N-CA 124.895 1.278 . . . . 1.0 109.086 174.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -127.3 119.21 25.78 Favored 'General case' 0 C--N 1.342 0.273 0 O-C-N 120.726 -1.234 . . . . 1.0 111.907 -172.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.7 m -153.31 166.04 1.45 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.466 0 C-N-CA 126.007 1.723 . . . . 1.0 106.613 175.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -68.43 155.81 39.13 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 124.28 1.032 . . . . 1.0 112.171 173.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -57.84 -31.71 66.92 Favored 'General case' 0 C--N 1.346 0.44 0 C-N-CA 125.006 1.322 . . . . 1.0 111.785 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -89.48 5.96 43.05 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.656 1.182 . . . . 1.0 113.472 -174.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.4 m -74.85 -21.22 59.39 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 119.676 -1.89 . . . . 1.0 110.648 165.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.4 t -64.31 -47.27 90.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 O-C-N 120.194 -1.566 . . . . 1.0 112.189 167.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.2 -43.82 87.8 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 125.981 1.712 . . . . 1.0 113.256 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.81 -42.63 96.52 Favored 'Isoleucine or valine' 0 C--N 1.349 0.548 0 C-N-CA 124.59 1.156 . . . . 1.0 112.447 173.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -69.62 -31.81 70.15 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 119.249 -2.157 . . . . 1.0 113.922 174.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.1 mm -61.8 -42.76 95.72 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 O-C-N 120.676 -1.265 . . . . 1.0 111.928 169.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -60.08 -45.94 91.21 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 121.007 -1.058 . . . . 1.0 112.515 171.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -62.12 -41.56 98.35 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 120.784 -1.197 . . . . 1.0 113.401 174.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.2 tp -62.88 -44.15 96.87 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 120.371 -1.456 . . . . 1.0 113.831 174.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -61.37 -44.19 97.58 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 119.971 -1.706 . . . . 1.0 113.314 171.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -60.76 -40.85 94.01 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 120.942 -1.099 . . . . 1.0 113.176 175.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.92 94.08 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 114.91 1.448 . . . . 1.0 114.91 174.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.0 mt -96.74 -6.35 36.49 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 120.644 -1.285 . . . . 1.0 112.349 -172.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -63.81 -43.66 77.01 Favored Pre-proline 0 C--N 1.351 0.652 0 N-CA-C 114.922 1.453 . . . . 1.0 114.922 174.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -60.19 -26.22 82.0 Favored 'Trans proline' 0 CA--C 1.516 -0.416 0 CA-C-N 124.158 2.521 . . . . 1.0 114.212 170.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -90.78 -0.24 75.54 Favored Glycine 0 C--N 1.348 1.204 0 C-N-CA 124.592 1.091 . . . . 1.0 113.971 174.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.95 28.27 73.73 Favored Glycine 0 C--N 1.347 1.163 0 N-CA-C 117.235 1.654 . . . . 1.0 117.235 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.481 ' CE1' ' O ' ' A' ' 10' ' ' GLN . 99.1 m-70 -130.31 17.41 5.46 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 121.242 -1.152 . . . . 1.0 113.621 -176.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -55.12 -40.45 70.52 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 126.78 2.032 . . . . 1.0 114.51 169.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -71.74 -14.74 62.1 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 126.979 2.112 . . . . 1.0 114.388 -170.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 79.4 mtp -62.05 -34.93 77.17 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 120.508 -1.37 . . . . 1.0 112.694 169.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.7 t -74.77 105.65 3.97 Favored 'Isoleucine or valine' 0 C--N 1.351 0.671 0 C-N-CA 124.049 0.94 . . . . 1.0 110.56 174.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -113.7 156.01 24.53 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 126.142 1.777 . . . . 1.0 110.791 -171.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 53.4 m -118.56 132.64 56.2 Favored 'General case' 0 CA--C 1.51 -0.576 0 O-C-N 121.233 -0.917 . . . . 1.0 111.159 -169.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 92.6 t -117.22 112.76 40.41 Favored 'Isoleucine or valine' 0 C--N 1.348 0.519 0 C-N-CA 125.055 1.342 . . . . 1.0 108.55 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.6 ttt85 -60.4 121.06 11.12 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 120.642 -1.286 . . . . 1.0 113.44 -175.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.65 -3.47 78.71 Favored Glycine 0 C--N 1.347 1.166 0 C-N-CA 125.199 1.381 . . . . 1.0 114.653 172.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 53.2 m -126.42 -33.78 2.54 Favored 'General case' 0 CA--C 1.515 -0.382 0 O-C-N 121.029 -1.277 . . . . 1.0 110.521 -178.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 147.84 -137.28 6.44 Favored Glycine 0 C--N 1.355 1.614 0 O-C-N 119.632 -1.917 . . . . 1.0 114.553 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -133.7 162.49 31.81 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 121.702 -0.881 . . . . 1.0 110.264 -172.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.406 HH21 ' CD ' ' A' ' 46' ' ' GLU . 57.5 ttt180 -143.41 142.94 31.42 Favored 'General case' 0 C--N 1.347 0.472 0 C-N-CA 124.953 1.301 . . . . 1.0 107.645 -174.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -113.29 124.82 53.39 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 107.098 -1.445 . . . . 1.0 107.098 176.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.7 t -126.38 132.68 51.49 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 120.613 -1.304 . . . . 1.0 113.324 -165.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.344 0.367 0 C-N-CA 126.557 1.943 . . . . 1.0 112.06 -175.562 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 N--CA 1.466 0.345 0 N-CA-C 117.802 2.519 . . . . 1.0 117.802 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.1 mt -107.35 118.21 54.64 Favored 'Isoleucine or valine' 0 C--N 1.345 0.38 0 N-CA-C 106.873 -1.529 . . . . 1.0 106.873 176.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -123.24 113.52 19.03 Favored 'General case' 0 C--N 1.345 0.404 0 O-C-N 121.301 -0.875 . . . . 1.0 109.423 -175.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 19.4 ptt? -158.67 148.05 19.12 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 121.169 -0.957 . . . . 1.0 110.997 174.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.449 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 24.6 mm100 57.28 35.8 26.54 Favored 'General case' 0 C--N 1.347 0.457 0 C-N-CA 126.915 2.086 . . . . 1.0 114.628 -178.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.72 6.17 88.4 Favored Glycine 0 C--N 1.349 1.268 0 O-C-N 120.556 -1.34 . . . . 1.0 114.375 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.0 tp -120.34 129.9 54.19 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 125.082 1.353 . . . . 1.0 109.025 -175.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 93.9 p -124.18 130.67 52.94 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 120.785 -1.197 . . . . 1.0 111.913 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 tt -126.78 125.62 42.02 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 120.853 -1.154 . . . . 1.0 109.885 -176.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -108.79 109.06 61.18 Favored Pre-proline 0 C--O 1.237 0.439 0 C-N-CA 124.699 1.2 . . . . 1.0 109.434 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -67.47 -25.83 41.17 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.78 2.32 . . . . 1.0 113.968 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.9 m -63.38 -45.81 89.39 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 124.23 1.012 . . . . 1.0 112.645 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.2 p -107.45 -4.6 18.32 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 120.872 -1.143 . . . . 1.0 114.004 -178.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.3 m170 64.04 44.67 4.51 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 125.731 1.612 . . . . 1.0 113.523 -172.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -111.41 130.02 55.83 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 120.932 -1.105 . . . . 1.0 111.012 -175.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.8 t -119.51 131.93 70.73 Favored 'Isoleucine or valine' 0 C--N 1.349 0.576 0 N-CA-C 108.445 -0.946 . . . . 1.0 108.445 176.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 70.8 mtp -130.77 150.38 51.98 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 120.642 -1.286 . . . . 1.0 110.693 175.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.24 108.87 17.86 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 105.969 -1.863 . . . . 1.0 105.969 168.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 55.95 -116.74 7.66 Favored Glycine 0 C--N 1.348 1.244 0 O-C-N 120.703 -1.248 . . . . 1.0 113.69 -164.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -105.38 19.43 20.6 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 123.864 0.866 . . . . 1.0 112.292 174.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -109.24 117.59 52.93 Favored Pre-proline 0 C--N 1.351 0.64 0 O-C-N 120.528 -1.358 . . . . 1.0 110.607 177.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.7 144.85 22.49 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.991 2.46 . . . . 1.0 112.963 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.2 mp -96.49 159.93 14.68 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 124.639 1.176 . . . . 1.0 111.414 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -123.96 119.48 29.69 Favored 'General case' 0 C--N 1.346 0.413 0 C-N-CA 125.425 1.49 . . . . 1.0 108.633 177.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.0 ptp -155.79 159.19 39.22 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 120.415 -1.428 . . . . 1.0 112.146 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.82 158.01 47.73 Favored Glycine 0 C--N 1.35 1.352 0 O-C-N 120.883 -1.136 . . . . 1.0 114.78 175.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -68.63 -30.73 27.79 Favored 'Trans proline' 0 C--N 1.323 -0.785 0 C-N-CA 123.318 2.679 . . . . 1.0 112.88 -177.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.1 m -67.29 -38.26 84.74 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-O 122.016 0.913 . . . . 1.0 110.954 173.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -41.9 95.2 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 125.125 1.37 . . . . 1.0 111.653 174.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -59.69 -46.35 89.35 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 121.104 -0.998 . . . . 1.0 112.699 173.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -62.45 -40.84 97.92 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 120.911 -1.118 . . . . 1.0 113.221 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.6 tp -65.17 -44.54 88.18 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 114.199 1.185 . . . . 1.0 114.199 170.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.4 tp -62.7 -41.55 99.18 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.364 -1.46 . . . . 1.0 113.049 177.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -59.34 -41.39 89.06 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 121.036 -1.04 . . . . 1.0 112.427 172.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -63.35 -45.9 89.08 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 121.131 -0.981 . . . . 1.0 113.082 175.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -63.89 -44.86 91.74 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 114.551 1.315 . . . . 1.0 114.551 175.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 92.6 mtp -64.67 -34.87 79.32 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.28 -1.513 . . . . 1.0 113.895 177.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.8 p -75.37 -16.73 60.35 Favored 'General case' 0 C--N 1.345 0.395 0 O-C-N 120.494 -1.379 . . . . 1.0 112.941 172.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -134.29 67.65 72.8 Favored Pre-proline 0 C--N 1.353 0.728 0 O-C-N 120.69 -1.256 . . . . 1.0 114.217 -178.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -79.05 160.47 26.86 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 123.276 2.651 . . . . 1.0 112.133 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 61.22 42.57 11.94 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 127.652 2.381 . . . . 1.0 113.203 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -148.88 134.3 18.52 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 120.886 -1.134 . . . . 1.0 110.233 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 20.0 t -85.95 130.38 36.56 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 O-C-N 120.634 -1.291 . . . . 1.0 110.554 176.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -121.37 127.02 50.81 Favored 'General case' 0 CA--C 1.502 -0.887 0 C-N-CA 125.631 1.572 . . . . 1.0 107.584 176.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.5 p -75.08 164.43 26.53 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 121.928 0.871 . . . . 1.0 111.739 172.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.6 mtt85 -60.74 -34.69 74.8 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 120.45 -1.406 . . . . 1.0 111.906 177.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -57.89 -45.0 87.05 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 114.147 1.165 . . . . 1.0 114.147 169.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -65.97 -42.59 89.69 Favored 'General case' 0 C--N 1.359 0.991 0 O-C-N 120.108 -1.62 . . . . 1.0 112.881 174.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.88 -39.99 93.83 Favored 'General case' 0 C--N 1.347 0.491 0 O-C-N 121.02 -1.05 . . . . 1.0 112.918 176.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.8 mt -59.53 -41.06 89.16 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.702 -1.249 . . . . 1.0 114.11 172.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -67.05 -48.34 68.57 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 120.081 -1.637 . . . . 1.0 113.106 170.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -68.35 -44.34 75.48 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 115.914 1.82 . . . . 1.0 115.914 -176.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.6 t -102.49 -36.37 4.39 Favored 'Isoleucine or valine' 0 C--N 1.347 0.473 0 O-C-N 121.142 -0.974 . . . . 1.0 111.703 -170.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 20.8 m-90 -98.22 -11.23 22.91 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 119.984 -1.698 . . . . 1.0 111.496 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.7 1.55 73.77 Favored Glycine 0 C--N 1.342 0.893 0 O-C-N 120.223 -1.548 . . . . 1.0 115.898 165.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . 0.346 0.5 OUTLIER 63.3 -24.73 0.06 Allowed 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 128.331 2.652 . . . . 1.0 117.018 -178.168 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -66.44 -42.27 87.9 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 119.26 -2.15 . . . . 1.0 111.262 168.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.4 t -61.14 136.43 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 C-N-CA 124.92 1.288 . . . . 1.0 111.782 171.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -118.45 120.26 37.03 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 123.156 1.455 . . . . 1.0 111.223 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.5 m -151.0 154.23 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 C-N-CA 126.343 1.857 . . . . 1.0 108.057 -177.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -62.67 151.19 38.9 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 124.935 1.294 . . . . 1.0 111.826 170.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -65.64 -17.55 64.68 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 120.321 -1.487 . . . . 1.0 113.505 -171.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -95.17 6.82 47.99 Favored 'General case' 0 N--CA 1.443 -0.79 0 O-C-N 120.674 -1.266 . . . . 1.0 114.031 -175.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 t -75.59 -18.75 59.63 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 119.312 -2.118 . . . . 1.0 111.008 162.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.6 t -62.27 -48.4 88.57 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 0 O-C-N 120.021 -1.675 . . . . 1.0 111.838 169.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.12 -44.07 87.53 Favored 'General case' 0 C--N 1.35 0.616 0 C-N-CA 126.018 1.727 . . . . 1.0 113.306 177.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 52.9 t -63.94 -44.39 97.95 Favored 'Isoleucine or valine' 0 C--N 1.346 0.424 0 C-N-CA 125.589 1.556 . . . . 1.0 112.42 175.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -66.91 -36.76 83.0 Favored 'General case' 0 C--N 1.344 0.356 0 O-C-N 119.868 -1.77 . . . . 1.0 113.683 175.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.6 mm -59.29 -41.45 84.14 Favored 'Isoleucine or valine' 0 C--N 1.348 0.523 0 O-C-N 120.621 -1.3 . . . . 1.0 112.071 170.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -43.62 95.89 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 120.258 -1.526 . . . . 1.0 113.279 172.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.8 -38.71 92.1 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 124.965 1.306 . . . . 1.0 113.47 175.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.5 tp -61.93 -42.74 99.45 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 124.844 1.258 . . . . 1.0 113.361 173.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -57.25 -45.74 83.69 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 120.311 -1.493 . . . . 1.0 114.156 170.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -61.66 -39.1 90.17 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.578 -1.326 . . . . 1.0 113.454 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.28 -38.82 88.14 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 114.52 1.304 . . . . 1.0 114.52 173.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 77.1 mt -94.97 -4.52 46.54 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 120.884 -1.135 . . . . 1.0 112.792 -174.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -63.16 -41.78 71.75 Favored Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 116.663 2.097 . . . . 1.0 116.663 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -56.79 -40.15 86.3 Favored 'Trans proline' 0 C--N 1.343 0.24 0 CA-C-N 124.907 2.788 . . . . 1.0 115.096 175.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -83.18 -2.6 90.46 Favored Glycine 0 C--N 1.348 1.204 0 N-CA-C 114.684 0.633 . . . . 1.0 114.684 174.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.17 10.2 86.31 Favored Glycine 0 C--N 1.35 1.311 0 O-C-N 120.838 -1.389 . . . . 1.0 115.229 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.449 ' CE1' ' O ' ' A' ' 10' ' ' GLN . 85.9 m-70 -96.58 0.19 49.65 Favored 'General case' 0 C--N 1.344 0.327 0 O-C-N 120.493 -1.592 . . . . 1.0 113.49 -170.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -57.72 -34.4 69.43 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 127.054 2.142 . . . . 1.0 115.048 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -88.86 4.49 47.63 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 124.912 1.285 . . . . 1.0 113.148 -166.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 52.8 mtm -89.32 -3.68 58.39 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 121.138 -0.976 . . . . 1.0 111.967 172.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.4 t -83.32 120.43 34.53 Favored 'Isoleucine or valine' 0 C--N 1.35 0.601 0 N-CA-C 108.132 -1.062 . . . . 1.0 108.132 168.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -108.78 148.16 30.96 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 124.651 1.18 . . . . 1.0 109.452 -174.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 49.7 m -119.53 123.96 45.26 Favored 'General case' 0 CA--C 1.498 -1.037 0 O-C-N 121.302 -0.874 . . . . 1.0 110.791 -173.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.7 t -108.47 108.46 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 C-N-CA 123.93 0.892 . . . . 1.0 108.85 -175.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 48.0 ttm-85 -64.34 120.1 11.57 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-O 122.312 1.053 . . . . 1.0 113.406 -172.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 84.67 2.88 88.59 Favored Glycine 0 CA--C 1.497 -1.051 0 O-C-N 120.801 -1.187 . . . . 1.0 113.795 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.0 m -127.21 -57.3 1.31 Allowed 'General case' 0 CA--C 1.505 -0.775 0 O-C-N 121.563 -0.963 . . . . 1.0 109.599 -176.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 159.36 -137.51 5.17 Favored Glycine 0 C--N 1.349 1.279 0 O-C-N 120.531 -1.356 . . . . 1.0 112.559 -173.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -136.27 161.95 34.33 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.615 0.722 . . . . 1.0 110.432 -170.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 47.3 ttt-85 -150.88 151.66 32.54 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 107.68 -1.23 . . . . 1.0 107.68 -169.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -127.67 147.39 50.38 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.058 -1.651 . . . . 1.0 108.83 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.7 t -149.52 147.42 28.17 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 119.971 -1.706 . . . . 1.0 112.363 178.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.8 p . . . . . 0 C--N 1.345 0.404 0 C-N-CA 125.126 1.371 . . . . 1.0 111.373 179.039 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 32.7 m . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 105.786 -1.931 . . . . 1.0 105.786 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.2 mt -104.05 110.61 30.81 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.454 0 O-C-N 120.015 -1.678 . . . . 1.0 107.972 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -116.27 125.15 51.79 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 121.639 0.733 . . . . 1.0 111.823 -176.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 13.2 ptp -157.83 145.69 18.68 Favored 'General case' 0 C--N 1.347 0.465 0 C-N-CA 124.051 0.94 . . . . 1.0 109.27 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 tm0? 59.51 28.08 17.39 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 120.207 -1.558 . . . . 1.0 114.631 171.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.16 6.12 87.49 Favored Glycine 0 C--N 1.352 1.456 0 O-C-N 119.28 -2.137 . . . . 1.0 114.933 -174.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.5 tp -117.54 137.08 52.81 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.789 1.636 . . . . 1.0 108.522 -176.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.4 t -137.07 131.86 33.35 Favored 'General case' 0 C--N 1.347 0.463 0 O-C-N 120.358 -1.464 . . . . 1.0 111.328 -178.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 tt -124.71 131.22 53.48 Favored 'General case' 0 C--N 1.345 0.39 0 C-N-CA 124.561 1.144 . . . . 1.0 110.401 -174.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -108.95 112.6 60.02 Favored Pre-proline 0 C--O 1.237 0.438 0 O-C-N 120.664 -1.273 . . . . 1.0 107.705 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -67.01 -32.54 34.67 Favored 'Trans proline' 0 CA--C 1.513 -0.533 0 C-N-CA 122.691 2.26 . . . . 1.0 113.618 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 64.6 m -68.47 -41.81 79.61 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.887 1.275 . . . . 1.0 111.311 -176.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.5 m -96.54 -4.33 41.53 Favored 'General case' 0 CA--C 1.508 -0.663 0 O-C-N 121.68 -0.637 . . . . 1.0 112.175 -176.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.9 m170 61.21 31.47 19.52 Favored 'General case' 0 C--N 1.35 0.593 0 C-N-CA 125.388 1.475 . . . . 1.0 113.499 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -122.11 135.92 54.85 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 120.96 -1.088 . . . . 1.0 112.88 -165.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 44.3 t -117.24 128.05 74.65 Favored 'Isoleucine or valine' 0 C--N 1.348 0.518 0 C-N-CA 124.263 1.025 . . . . 1.0 109.458 -178.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 89.7 mmm -114.68 135.15 54.47 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 125.891 1.677 . . . . 1.0 108.59 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.12 112.47 19.57 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 107.522 -1.288 . . . . 1.0 107.522 173.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.7 -111.11 3.22 Favored Glycine 0 C--N 1.347 1.178 0 O-C-N 120.585 -1.322 . . . . 1.0 113.32 -167.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -106.84 9.09 31.01 Favored 'General case' 0 C--N 1.347 0.457 0 C-N-CA 123.855 0.862 . . . . 1.0 112.528 175.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -114.06 128.42 25.8 Favored Pre-proline 0 C--N 1.351 0.655 0 O-C-N 120.756 -1.215 . . . . 1.0 112.105 -169.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -75.07 139.42 24.09 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 CA-C-N 123.156 2.163 . . . . 1.0 111.649 170.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.4 mt -121.27 155.55 34.42 Favored 'General case' 0 C--N 1.346 0.44 0 CA-C-O 121.84 0.829 . . . . 1.0 109.655 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -116.77 144.15 44.82 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 122.4 1.095 . . . . 1.0 112.875 -171.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -158.26 164.23 36.65 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.095 1.358 . . . . 1.0 107.588 174.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.36 174.47 54.43 Favored Glycine 0 C--N 1.35 1.323 0 O-C-N 121.147 -0.97 . . . . 1.0 113.621 174.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -73.7 -33.02 6.97 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 121.933 1.755 . . . . 1.0 112.907 -168.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 77.4 m -61.32 -42.32 98.48 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 120.388 1.449 . . . . 1.0 111.988 172.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -63.71 -42.04 98.0 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 120.809 -1.182 . . . . 1.0 112.435 172.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -61.27 -45.91 92.54 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.964 -1.085 . . . . 1.0 113.551 175.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -62.29 -42.1 99.06 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 120.213 -1.554 . . . . 1.0 112.946 176.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.2 tp -63.3 -43.11 98.8 Favored 'General case' 0 C--N 1.347 0.497 0 O-C-N 121.226 -0.921 . . . . 1.0 112.811 174.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.8 tp -63.34 -41.63 98.89 Favored 'General case' 0 C--N 1.346 0.453 0 O-C-N 120.785 -1.197 . . . . 1.0 113.685 174.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -59.78 -41.83 92.01 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 120.418 -1.426 . . . . 1.0 112.604 172.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -62.51 -45.95 90.65 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.964 -1.085 . . . . 1.0 112.682 173.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -63.27 -43.31 98.32 Favored 'General case' 0 C--N 1.347 0.471 0 N-CA-C 114.945 1.461 . . . . 1.0 114.945 174.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 95.0 mtp -74.76 -16.11 60.74 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 119.536 -1.978 . . . . 1.0 113.428 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.1 p -94.46 -0.22 54.89 Favored 'General case' 0 C--N 1.346 0.426 0 O-C-N 120.658 -1.276 . . . . 1.0 110.674 170.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -144.67 64.42 11.65 Favored Pre-proline 0 C--N 1.35 0.604 0 O-C-N 120.317 -1.489 . . . . 1.0 114.424 175.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.37 154.96 56.06 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.794 2.329 . . . . 1.0 113.228 173.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 62.72 39.71 10.78 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 127.926 2.49 . . . . 1.0 114.726 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -147.33 131.63 17.5 Favored 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 120.669 -1.269 . . . . 1.0 110.119 177.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.5 t -77.48 133.56 30.38 Favored 'Isoleucine or valine' 0 C--N 1.348 0.538 0 O-C-N 120.926 -1.109 . . . . 1.0 111.974 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -125.41 128.13 47.63 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 107.847 -1.168 . . . . 1.0 107.847 173.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 92.3 p -69.97 164.75 23.22 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 122.371 1.081 . . . . 1.0 112.595 170.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 73.2 mtt85 -59.84 -36.86 77.72 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 120.755 -1.216 . . . . 1.0 112.594 176.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -58.81 -44.58 90.85 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.929 -1.107 . . . . 1.0 113.904 169.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -67.66 -41.73 83.32 Favored 'General case' 0 C--N 1.359 1.005 0 O-C-N 120.444 -1.41 . . . . 1.0 112.452 177.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 97.0 mt -61.14 -41.84 97.46 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 120.858 -1.151 . . . . 1.0 113.055 174.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.4 mt -60.61 -47.01 88.12 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.735 -1.228 . . . . 1.0 113.456 171.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -65.7 -44.62 85.6 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 121.048 -1.032 . . . . 1.0 113.01 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -67.76 -44.28 77.88 Favored 'General case' 0 C--N 1.349 0.578 0 N-CA-C 114.907 1.447 . . . . 1.0 114.907 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 81.4 t -99.07 -63.0 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.682 0 O-C-N 120.548 -1.345 . . . . 1.0 111.766 -168.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 13.5 m-90 -67.39 -41.54 84.83 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 124.622 1.169 . . . . 1.0 112.74 -178.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.25 -169.43 13.64 Favored Glycine 0 C--N 1.348 1.235 0 CA-C-O 122.655 1.142 . . . . 1.0 114.21 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.8 p -102.65 -22.65 13.93 Favored 'General case' 0 C--N 1.344 0.351 0 O-C-N 121.122 -1.222 . . . . 1.0 111.794 -172.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -103.74 27.41 7.53 Favored 'General case' 0 C--N 1.346 0.426 0 O-C-N 120.128 -1.608 . . . . 1.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.2 t -116.46 137.37 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 C-N-CA 125.21 1.404 . . . . 1.0 108.129 177.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -124.26 9.17 8.55 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 122.891 1.329 . . . . 1.0 114.401 -152.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.2 m -57.82 148.83 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 127.388 2.275 . . . . 1.0 115.217 177.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -55.91 162.7 1.73 Allowed 'General case' 0 C--N 1.348 0.507 0 C-N-CA 126.186 1.794 . . . . 1.0 113.503 166.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -61.89 -32.12 72.47 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 119.936 -1.727 . . . . 1.0 112.525 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -95.03 8.56 42.53 Favored 'General case' 0 N--CA 1.443 -0.822 0 O-C-N 120.668 -1.27 . . . . 1.0 113.797 -160.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.9 t -75.77 -21.87 56.99 Favored 'General case' 0 C--N 1.352 0.684 0 O-C-N 120.204 -1.56 . . . . 1.0 111.203 159.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 38.8 t -63.31 -48.04 89.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 O-C-N 119.799 -1.813 . . . . 1.0 111.512 171.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.11 -43.16 91.89 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 126.094 1.758 . . . . 1.0 113.295 177.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 77.6 t -63.82 -44.64 98.23 Favored 'Isoleucine or valine' 0 C--N 1.349 0.55 0 C-N-CA 124.283 1.033 . . . . 1.0 112.29 173.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -65.98 -32.62 74.21 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 120.044 -1.66 . . . . 1.0 113.601 175.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.5 mm -62.16 -41.83 92.82 Favored 'Isoleucine or valine' 0 C--N 1.345 0.383 0 O-C-N 120.715 -1.241 . . . . 1.0 112.392 169.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -37.65 85.05 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 120.312 -1.492 . . . . 1.0 112.022 172.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . 0.285 95.8 mtt180 -67.46 -33.14 74.51 Favored 'General case' 0 CA--C 1.563 1.48 0 CA-C-N 119.77 1.168 . . . . 1.0 112.51 174.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . 0.265 38.9 tp -73.09 -33.54 65.67 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-N 119.849 1.204 . . . . 1.0 113.607 174.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -65.2 -40.35 94.07 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 119.715 1.143 . . . . 1.0 113.95 167.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -60.9 -42.83 98.8 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 120.771 -1.206 . . . . 1.0 112.57 174.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.19 -39.08 93.63 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 115.528 1.677 . . . . 1.0 115.528 174.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.1 mt -99.33 5.27 46.54 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 121.232 -0.918 . . . . 1.0 111.992 -174.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -57.29 -43.42 99.13 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-O 115.988 -1.958 . . . . 1.0 115.668 172.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -54.11 125.31 18.38 Favored 'Trans proline' 0 C--N 1.346 0.433 0 CA-C-N 124.846 2.767 . . . . 1.0 114.472 168.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.04 0.95 84.34 Favored Glycine 0 C--N 1.343 0.935 0 N-CA-C 115.442 0.937 . . . . 1.0 115.442 -176.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 73.49 39.64 49.64 Favored Glycine 0 C--N 1.349 1.301 0 O-C-N 120.767 -1.431 . . . . 1.0 116.371 173.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -102.87 -5.99 22.98 Favored 'General case' 0 C--N 1.348 0.543 0 O-C-N 121.003 -1.293 . . . . 1.0 112.505 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -53.21 -36.33 60.88 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 126.103 1.761 . . . . 1.0 114.731 170.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -67.72 -15.64 63.74 Favored 'General case' 0 C--N 1.345 0.374 0 N-CA-C 115.737 1.755 . . . . 1.0 115.737 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 84.1 mtp -61.63 -35.63 78.47 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 120.598 -1.314 . . . . 1.0 112.913 173.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.9 t -72.97 106.89 3.24 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 C-N-CA 124.406 1.082 . . . . 1.0 111.39 174.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -102.2 152.88 20.51 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.868 1.667 . . . . 1.0 110.763 -177.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.3 m -116.78 132.6 56.65 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-O 122.13 0.967 . . . . 1.0 110.068 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.9 t -114.38 105.2 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 C-N-CA 124.316 1.046 . . . . 1.0 108.382 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 66.6 ttt-85 -55.02 114.48 1.77 Allowed 'General case' 0 C--N 1.353 0.746 0 C-N-CA 125.634 1.574 . . . . 1.0 114.47 -174.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.25 -1.64 87.54 Favored Glycine 0 C--N 1.347 1.189 0 C-N-CA 124.49 1.043 . . . . 1.0 114.154 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 56.9 m -122.9 -44.83 2.18 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 118.684 1.242 . . . . 1.0 110.984 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 152.77 -136.07 5.2 Favored Glycine 0 C--N 1.35 1.324 0 O-C-N 119.531 -1.98 . . . . 1.0 113.797 -175.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -137.84 162.93 32.68 Favored 'General case' 0 C--N 1.344 0.355 0 O-C-N 121.435 -1.038 . . . . 1.0 111.167 -171.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -147.89 155.57 41.75 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 124.349 1.06 . . . . 1.0 108.772 -176.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -121.51 141.65 50.83 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 120.337 -1.477 . . . . 1.0 108.828 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.0 t -142.32 139.97 32.0 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.183 -1.573 . . . . 1.0 113.459 -174.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.0 p . . . . . 0 C--N 1.347 0.486 0 C-N-CA 126.325 1.85 . . . . 1.0 112.077 -176.36 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.7 t . . . . . 0 N--CA 1.46 0.037 0 CA-C-O 120.553 0.216 . . . . 1.0 111.365 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.6 mt -113.79 125.91 71.16 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 O-C-N 120.305 -1.497 . . . . 1.0 108.237 177.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -118.28 119.75 35.59 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 124.491 1.116 . . . . 1.0 110.688 176.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.1 ptp -150.56 142.82 24.2 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.59 -1.319 . . . . 1.0 110.344 169.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.422 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 24.6 mm100 51.82 35.62 15.93 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 116.266 1.95 . . . . 1.0 116.266 174.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.58 6.14 89.5 Favored Glycine 0 C--N 1.349 1.302 0 O-C-N 120.052 -1.655 . . . . 1.0 115.296 -177.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.6 tp -116.62 130.92 57.02 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 124.518 1.127 . . . . 1.0 109.002 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 90.3 p -128.73 135.57 49.39 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 120.988 -1.07 . . . . 1.0 112.533 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.6 tt -129.03 124.91 36.13 Favored 'General case' 0 C--N 1.344 0.345 0 O-C-N 120.82 -1.175 . . . . 1.0 109.602 -177.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -114.74 109.01 48.16 Favored Pre-proline 0 C--O 1.239 0.527 0 C-N-CA 125.815 1.646 . . . . 1.0 108.146 -177.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -63.08 -30.43 75.64 Favored 'Trans proline' 0 CA--C 1.51 -0.717 0 C-N-CA 123.029 2.486 . . . . 1.0 114.414 176.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.8 m -60.12 -44.46 94.88 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 119.632 1.105 . . . . 1.0 113.322 -173.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.3 m -104.63 -1.52 26.29 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 121.081 -1.012 . . . . 1.0 112.311 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.3 m170 71.66 39.82 0.84 Allowed 'General case' 0 CA--C 1.509 -0.615 0 C-N-CA 125.952 1.701 . . . . 1.0 110.333 174.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.8 ptt180 -123.09 136.67 54.9 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-O 122.471 1.129 . . . . 1.0 112.599 -166.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.0 t -113.87 135.55 53.16 Favored 'Isoleucine or valine' 0 C--N 1.346 0.433 0 N-CA-C 107.433 -1.321 . . . . 1.0 107.433 177.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 92.6 mtp -136.04 157.94 45.6 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 120.816 -1.177 . . . . 1.0 109.227 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.66 110.55 16.11 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 121.116 -0.99 . . . . 1.0 109.129 170.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.64 -108.4 1.96 Allowed Glycine 0 C--N 1.348 1.204 0 O-C-N 119.827 -1.796 . . . . 1.0 113.332 -168.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -113.32 14.65 19.29 Favored 'General case' 0 C--N 1.346 0.419 0 C-N-CA 123.692 0.797 . . . . 1.0 112.46 169.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -103.35 112.25 65.58 Favored Pre-proline 0 C--N 1.35 0.596 0 O-C-N 119.957 -1.714 . . . . 1.0 111.369 178.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -51.2 146.97 21.85 Favored 'Trans proline' 0 C--N 1.328 -0.547 0 C-N-CA 123.904 3.069 . . . . 1.0 118.383 167.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.6 mt -128.13 162.09 27.72 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.981 1.713 . . . . 1.0 108.515 172.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -131.02 139.74 50.01 Favored 'General case' 0 C--N 1.348 0.515 0 C-N-CA 124.493 1.117 . . . . 1.0 111.487 -171.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.0 ptp -162.55 161.61 26.92 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 120.783 -1.198 . . . . 1.0 111.531 175.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.98 170.12 52.18 Favored Glycine 0 C--N 1.349 1.269 0 O-C-N 119.501 -2.0 . . . . 1.0 114.086 170.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -70.62 -31.6 16.4 Favored 'Trans proline' 0 C--N 1.321 -0.887 0 C-N-CA 123.544 2.83 . . . . 1.0 112.326 -174.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.3 m -64.3 -40.05 95.17 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 119.825 1.193 . . . . 1.0 111.509 175.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.38 -42.41 92.73 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 125.352 1.461 . . . . 1.0 111.824 172.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -61.37 -45.89 92.48 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 120.883 -1.135 . . . . 1.0 113.445 176.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -61.65 -41.93 98.2 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 120.671 -1.268 . . . . 1.0 112.97 175.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.9 tp -62.95 -46.02 89.69 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 123.868 0.867 . . . . 1.0 112.85 173.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.4 tp -64.04 -40.63 96.73 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 120.724 -1.235 . . . . 1.0 113.534 177.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -60.91 -41.21 95.68 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.263 -1.523 . . . . 1.0 113.057 172.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -63.67 -44.21 94.43 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 120.614 -1.304 . . . . 1.0 112.487 173.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -62.38 -44.88 95.42 Favored 'General case' 0 C--N 1.344 0.35 0 N-CA-C 114.675 1.361 . . . . 1.0 114.675 173.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 90.2 mtp -75.05 -16.31 60.59 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 119.44 -2.037 . . . . 1.0 113.241 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.0 p -90.33 -5.36 56.32 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 120.401 -1.437 . . . . 1.0 111.121 170.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -142.81 67.52 18.39 Favored Pre-proline 0 C--N 1.354 0.763 0 N-CA-C 114.522 1.305 . . . . 1.0 114.522 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -76.63 143.96 24.61 Favored 'Trans proline' 0 C--N 1.331 -0.36 0 C-N-CA 123.008 2.472 . . . . 1.0 112.582 176.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 62.33 43.81 7.94 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 128.922 2.889 . . . . 1.0 113.887 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -134.28 118.69 17.83 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 107.308 -1.367 . . . . 1.0 107.308 177.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 19.5 t -68.26 132.34 32.83 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 O-C-N 119.565 -1.959 . . . . 1.0 112.202 177.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -125.86 127.06 45.47 Favored 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 107.051 -1.463 . . . . 1.0 107.051 174.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 93.8 p -59.59 157.69 11.23 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 124.691 1.197 . . . . 1.0 113.143 167.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 86.0 mtt85 -58.73 -35.73 73.17 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.242 -1.536 . . . . 1.0 112.392 172.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.41 -43.82 92.94 Favored 'General case' 0 C--N 1.352 0.694 0 N-CA-C 114.388 1.255 . . . . 1.0 114.388 168.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -64.2 -43.47 94.94 Favored 'General case' 0 C--N 1.36 1.054 0 O-C-N 119.601 -1.937 . . . . 1.0 111.851 174.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.25 -41.92 98.86 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 120.683 -1.261 . . . . 1.0 113.862 176.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.9 mt -60.75 -46.95 88.48 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.36 -1.463 . . . . 1.0 113.494 173.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -65.43 -45.12 85.11 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 121.006 -1.059 . . . . 1.0 113.709 176.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -73.01 -39.24 66.17 Favored 'General case' 0 C--N 1.347 0.489 0 N-CA-C 115.916 1.821 . . . . 1.0 115.916 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.1 t -97.56 -58.29 3.91 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 O-C-N 120.152 -1.593 . . . . 1.0 112.055 -171.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 13.7 m-90 -69.41 -44.41 71.46 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 121.142 -0.974 . . . . 1.0 111.472 178.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 134.62 157.52 8.13 Favored Glycine 0 C--N 1.344 1.002 0 CA-C-O 122.302 0.946 . . . . 1.0 111.53 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.5 p -64.89 -43.58 92.44 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 125.337 1.455 . . . . 1.0 114.347 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -103.52 -12.26 17.24 Favored 'General case' 0 C--N 1.347 0.476 0 C-N-CA 124.297 1.039 . . . . 1.0 111.332 -173.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.1 t -64.43 146.79 12.87 Favored 'Isoleucine or valine' 0 C--N 1.35 0.611 0 C-N-CA 125.681 1.592 . . . . 1.0 109.974 160.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -150.27 153.13 35.63 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 119.787 -1.821 . . . . 1.0 109.945 175.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 m -150.48 179.82 0.52 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 103.34 -2.837 . . . . 1.0 103.34 176.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -69.4 151.38 46.21 Favored 'General case' 0 N--CA 1.44 -0.934 0 O-C-N 120.291 -1.506 . . . . 1.0 110.149 169.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -57.24 -30.17 64.39 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 125.263 1.425 . . . . 1.0 112.231 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -89.27 9.77 24.69 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 114.794 1.405 . . . . 1.0 114.794 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.4 m -76.2 -20.3 57.61 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 119.43 -2.044 . . . . 1.0 110.848 165.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.7 t -63.76 -48.46 86.4 Favored 'Isoleucine or valine' 0 C--N 1.355 0.831 0 O-C-N 120.217 -1.552 . . . . 1.0 112.678 171.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.54 -42.47 87.91 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 126.101 1.76 . . . . 1.0 113.57 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 70.0 t -62.69 -43.84 98.96 Favored 'Isoleucine or valine' 0 C--N 1.348 0.52 0 C-N-CA 125.062 1.345 . . . . 1.0 112.221 174.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -66.93 -37.14 83.78 Favored 'General case' 0 C--N 1.347 0.489 0 O-C-N 120.273 -1.517 . . . . 1.0 114.432 175.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . 0.331 13.8 mm -51.72 -49.02 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.916 1.686 . . . . 1.0 113.038 169.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . 0.301 0.0 OUTLIER -50.7 -51.73 46.86 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 124.409 2.052 . . . . 1.0 112.612 171.465 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -56.55 -48.56 77.05 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 126.269 1.827 . . . . 1.0 112.849 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 38.2 tp -59.84 -46.15 90.18 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 120.139 -1.601 . . . . 1.0 113.06 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -58.53 -45.63 88.46 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 120.209 -1.557 . . . . 1.0 113.964 170.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.8 tptp -60.89 -39.35 88.96 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.452 -1.405 . . . . 1.0 113.513 176.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.28 -38.9 91.13 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 115.142 1.534 . . . . 1.0 115.142 173.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.7 mt -95.22 -4.33 46.04 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.21 -1.556 . . . . 1.0 111.721 -174.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -59.59 -45.44 98.68 Favored Pre-proline 0 C--N 1.35 0.612 0 N-CA-C 115.968 1.84 . . . . 1.0 115.968 176.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -70.46 -21.08 30.73 Favored 'Trans proline' 0 CA--C 1.515 -0.434 0 CA-C-N 125.851 3.125 . . . . 1.0 111.285 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -84.76 -7.78 83.68 Favored Glycine 0 C--N 1.346 1.131 0 C-N-CA 123.481 0.562 . . . . 1.0 114.132 170.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.12 11.57 84.75 Favored Glycine 0 C--N 1.352 1.448 0 CA-C-N 119.136 1.468 . . . . 1.0 115.2 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.422 ' CE1' ' O ' ' A' ' 10' ' ' GLN . 98.3 m-70 -112.89 12.76 19.49 Favored 'General case' 0 C--N 1.344 0.342 0 O-C-N 120.903 -1.351 . . . . 1.0 112.787 -169.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -58.44 -32.02 68.3 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 126.015 1.726 . . . . 1.0 113.867 168.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -54.07 -31.36 51.44 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 127.761 2.424 . . . . 1.0 115.83 -177.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 75.0 mtp -61.56 -35.3 77.41 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 125.506 1.523 . . . . 1.0 114.836 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 32.0 t -75.99 97.99 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.494 0 C-N-CA 124.381 1.073 . . . . 1.0 110.471 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -97.16 158.97 15.18 Favored 'General case' 0 N--CA 1.444 -0.741 0 O-C-N 120.695 -1.253 . . . . 1.0 110.798 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 56.2 m -115.17 133.43 56.05 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 108.374 -0.973 . . . . 1.0 108.374 -177.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.9 t -111.49 104.01 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 N-CA-C 107.016 -1.476 . . . . 1.0 107.016 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -57.26 128.44 37.02 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 125.201 1.401 . . . . 1.0 113.12 -176.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.82 1.99 90.63 Favored Glycine 0 C--N 1.348 1.235 0 C-N-CA 125.171 1.367 . . . . 1.0 114.065 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 40.4 m -134.95 -61.86 0.74 Allowed 'General case' 0 CA--C 1.508 -0.66 0 O-C-N 121.432 -1.04 . . . . 1.0 110.705 -175.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 163.97 -128.36 1.81 Allowed Glycine 0 CA--C 1.496 -1.114 0 O-C-N 120.223 -1.548 . . . . 1.0 112.146 -170.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -141.78 155.58 45.6 Favored 'General case' 0 C--N 1.346 0.436 0 O-C-N 121.201 -1.176 . . . . 1.0 111.21 -167.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -139.21 134.67 33.03 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 125.073 1.349 . . . . 1.0 108.817 -172.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -110.08 121.57 45.56 Favored 'General case' 0 CA--C 1.509 -0.625 0 O-C-N 120.215 -1.553 . . . . 1.0 108.507 -177.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.9 t -119.15 140.35 50.3 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 123.145 1.45 . . . . 1.0 114.242 -163.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.347 0.491 0 C-N-CA 126.082 1.753 . . . . 1.0 111.861 177.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.7 t . . . . . 0 C--O 1.234 0.256 0 CA-C-O 121.15 0.5 . . . . 1.0 111.766 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.3 mt -113.99 127.37 71.42 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.48 0 N-CA-C 106.475 -1.676 . . . . 1.0 106.475 174.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -132.36 122.71 25.47 Favored 'General case' 0 C--N 1.346 0.448 0 O-C-N 120.984 -1.072 . . . . 1.0 109.91 177.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -151.78 140.81 21.16 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 121.174 -0.954 . . . . 1.0 109.824 179.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 61.23 21.59 12.03 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 125.769 1.627 . . . . 1.0 115.008 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.44 0.36 88.99 Favored Glycine 0 C--N 1.352 1.428 0 O-C-N 120.58 -1.325 . . . . 1.0 115.071 -171.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.9 tp -99.68 128.08 45.79 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.301 1.44 . . . . 1.0 108.141 177.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.8 p -125.44 144.76 50.38 Favored 'General case' 0 CA--C 1.512 -0.507 0 O-C-N 120.794 -1.191 . . . . 1.0 111.802 -177.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.8 tt -139.21 128.43 24.01 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 124.217 1.007 . . . . 1.0 109.409 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -110.6 113.83 55.39 Favored Pre-proline 0 C--N 1.348 0.509 0 N-CA-C 107.419 -1.326 . . . . 1.0 107.419 176.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -71.09 -21.41 27.45 Favored 'Trans proline' 0 CA--C 1.51 -0.701 0 C-N-CA 122.651 2.234 . . . . 1.0 112.9 -176.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.7 m -85.18 -44.4 12.97 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-N 118.9 0.773 . . . . 1.0 110.291 -175.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.9 m -77.89 -15.33 59.11 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 120.793 -1.192 . . . . 1.0 112.793 174.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.9 m170 67.78 37.08 3.3 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 125.223 1.409 . . . . 1.0 111.52 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -118.78 133.82 55.58 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.389 1.076 . . . . 1.0 109.84 -164.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.1 t -121.18 132.77 69.76 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 N-CA-C 107.902 -1.148 . . . . 1.0 107.902 175.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 72.1 mtp -132.77 153.79 50.88 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 121.109 -0.995 . . . . 1.0 111.016 176.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -128.01 124.64 37.67 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 107.263 -1.384 . . . . 1.0 107.263 170.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.96 -113.86 4.79 Favored Glycine 0 C--N 1.352 1.47 0 O-C-N 121.416 -0.803 . . . . 1.0 112.897 -169.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -103.73 3.07 33.76 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.879 1.271 . . . . 1.0 113.716 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -123.81 139.65 32.79 Favored Pre-proline 0 C--N 1.357 0.911 0 O-C-N 120.507 -1.371 . . . . 1.0 113.39 -171.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -70.89 162.92 40.99 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 123.437 2.758 . . . . 1.0 113.816 173.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.6 mt -124.48 163.06 22.62 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-O 122.44 1.114 . . . . 1.0 111.19 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -117.36 121.83 42.19 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 120.744 -1.223 . . . . 1.0 112.028 -170.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.7 ptp -160.26 163.51 33.4 Favored 'General case' 0 N--CA 1.445 -0.697 0 O-C-N 121.544 -0.723 . . . . 1.0 109.44 176.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -85.66 177.49 49.9 Favored Glycine 0 C--N 1.352 1.452 0 O-C-N 121.304 -0.873 . . . . 1.0 112.929 177.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -72.21 -31.59 11.68 Favored 'Trans proline' 0 C--N 1.326 -0.623 0 C-N-CA 122.564 2.176 . . . . 1.0 112.689 -173.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.3 m -64.85 -43.26 93.58 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.745 1.157 . . . . 1.0 112.115 172.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -63.03 -41.49 99.54 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 120.568 -1.333 . . . . 1.0 112.709 172.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -60.38 -44.56 95.51 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 121.081 -1.012 . . . . 1.0 112.625 175.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -62.46 -42.89 99.79 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.844 -1.16 . . . . 1.0 112.839 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.2 tp -63.62 -45.16 91.54 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 124.868 1.267 . . . . 1.0 113.543 172.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.2 tp -63.85 -40.76 97.33 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 120.383 -1.448 . . . . 1.0 113.21 176.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.4 t-160 -61.01 -41.29 96.27 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.505 -1.372 . . . . 1.0 112.87 173.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -61.41 -46.0 91.97 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 120.956 -1.09 . . . . 1.0 111.987 170.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -61.8 -43.5 98.73 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 120.326 -1.484 . . . . 1.0 114.901 175.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 96.9 mtp -75.34 -16.44 60.4 Favored 'General case' 0 C--N 1.346 0.416 0 O-C-N 119.598 -1.938 . . . . 1.0 113.405 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.5 p -95.58 -1.86 49.56 Favored 'General case' 0 C--N 1.347 0.473 0 O-C-N 120.732 -1.23 . . . . 1.0 110.918 169.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -141.47 61.01 12.75 Favored Pre-proline 0 C--N 1.349 0.555 0 O-C-N 120.556 -1.34 . . . . 1.0 113.637 175.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -77.41 149.32 27.41 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 122.676 2.251 . . . . 1.0 111.617 177.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . 0.298 20.7 mm-40 81.53 32.21 0.12 Allowed 'General case' 0 C--N 1.344 0.365 0 C-N-CA 126.598 1.959 . . . . 1.0 114.752 168.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -142.27 141.39 32.44 Favored 'General case' 0 C--N 1.346 0.452 0 O-C-N 121.201 -0.937 . . . . 1.0 110.187 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.6 t -84.34 132.41 31.64 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 CA-C-O 122.352 1.072 . . . . 1.0 110.988 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -124.95 130.15 51.78 Favored 'General case' 0 CA--C 1.51 -0.569 0 C-N-CA 124.924 1.29 . . . . 1.0 108.425 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 84.7 p -66.57 160.52 25.09 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 123.58 0.752 . . . . 1.0 110.739 168.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -59.77 -36.82 77.47 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 120.128 -1.608 . . . . 1.0 112.098 175.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 -60.08 -42.1 93.89 Favored 'General case' 0 C--N 1.347 0.462 0 N-CA-C 114.504 1.298 . . . . 1.0 114.504 170.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -64.45 -41.29 96.61 Favored 'General case' 0 C--N 1.362 1.111 0 O-C-N 119.626 -1.921 . . . . 1.0 111.727 174.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.88 -41.01 97.36 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.698 -1.251 . . . . 1.0 113.573 172.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.4 mt -60.3 -47.08 87.56 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.321 -1.487 . . . . 1.0 113.12 171.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -62.91 -45.51 92.16 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 121.152 -0.968 . . . . 1.0 113.442 177.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -70.62 -34.9 72.62 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 115.927 1.825 . . . . 1.0 115.927 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.7 t -109.25 -72.49 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.457 0 O-C-N 121.065 -1.022 . . . . 1.0 110.943 -171.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 8.3 m-90 -61.06 -37.35 82.35 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 125.685 1.594 . . . . 1.0 114.864 -173.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 141.18 148.37 5.07 Favored Glycine 0 C--N 1.345 1.052 0 CA-C-O 122.418 1.01 . . . . 1.0 112.546 177.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.0 p -72.39 -17.15 61.84 Favored 'General case' 0 CA--C 1.516 -0.34 0 O-C-N 120.401 -1.646 . . . . 1.0 113.92 -178.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -115.94 11.28 15.41 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.731 -1.231 . . . . 1.0 110.879 177.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.3 p -61.32 146.15 12.1 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 O-C-N 120.285 -1.509 . . . . 1.0 114.028 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -114.0 5.81 16.25 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 122.376 1.084 . . . . 1.0 112.391 -161.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 31.0 m -76.03 160.6 4.97 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 CA-C-O 123.121 1.439 . . . . 1.0 113.344 -176.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -76.13 150.17 37.24 Favored 'General case' 0 N--CA 1.434 -1.242 0 O-C-N 120.866 -1.146 . . . . 1.0 110.159 172.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.66 -29.96 66.98 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.198 1.799 . . . . 1.0 110.92 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -72.86 -7.52 51.23 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 114.957 1.465 . . . . 1.0 114.957 177.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 50.8 m -70.03 -26.17 63.91 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 119.449 -2.032 . . . . 1.0 111.824 165.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.6 t -63.26 -45.74 97.55 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 O-C-N 120.254 -1.529 . . . . 1.0 111.897 169.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -56.33 -44.17 79.74 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 124.871 1.268 . . . . 1.0 113.064 -179.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 88.1 t -64.35 -44.69 97.24 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 C-N-CA 125.236 1.414 . . . . 1.0 112.983 176.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -72.47 -30.89 64.96 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 119.672 -1.893 . . . . 1.0 113.269 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 11.1 mm -61.34 -42.98 95.72 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 O-C-N 120.482 -1.386 . . . . 1.0 111.707 168.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.59 -45.63 93.3 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 121.025 -1.047 . . . . 1.0 112.256 175.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 45.5 mtt-85 -59.56 -42.41 92.36 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 114.869 1.433 . . . . 1.0 114.869 170.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 45.6 tp -62.33 -42.9 99.76 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.841 -1.162 . . . . 1.0 113.216 175.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -60.26 -44.49 95.25 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 119.904 -1.747 . . . . 1.0 113.883 170.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -61.56 -35.35 77.52 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-O 122.567 1.175 . . . . 1.0 113.302 175.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.32 -39.7 93.92 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 114.837 1.421 . . . . 1.0 114.837 171.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.5 mt -96.94 -7.37 33.37 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.639 -1.288 . . . . 1.0 111.624 -173.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.14 -46.17 97.87 Favored Pre-proline 0 C--N 1.349 0.565 0 N-CA-C 116.436 2.013 . . . . 1.0 116.436 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -76.98 -14.72 16.88 Favored 'Trans proline' 0 CA--C 1.518 -0.324 0 CA-C-N 125.747 3.088 . . . . 1.0 110.509 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -85.54 -2.9 86.88 Favored Glycine 0 C--N 1.348 1.208 0 C-N-CA 125.244 1.402 . . . . 1.0 113.788 169.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.6 8.99 87.42 Favored Glycine 0 C--N 1.35 1.342 0 CA-C-N 118.669 1.235 . . . . 1.0 115.737 177.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -118.9 18.61 13.23 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 120.681 -1.482 . . . . 1.0 114.889 -167.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 48.2 p-10 -54.37 -33.2 58.65 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.964 1.306 . . . . 1.0 113.792 162.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -55.32 -35.54 65.26 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 127.838 2.455 . . . . 1.0 114.495 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 60.7 mtp -60.57 -37.53 81.58 Favored 'General case' 0 C--N 1.346 0.446 0 N-CA-C 113.975 1.102 . . . . 1.0 113.975 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 38.3 t -81.46 98.08 3.94 Favored 'Isoleucine or valine' 0 C--N 1.346 0.429 0 C-N-CA 124.243 1.017 . . . . 1.0 109.984 176.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -96.06 155.97 16.53 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.309 1.444 . . . . 1.0 111.417 -175.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.1 m -110.36 138.73 46.35 Favored 'General case' 0 CA--C 1.502 -0.897 0 C-N-CA 124.371 1.068 . . . . 1.0 108.665 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 46.9 t -119.99 103.78 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 108.287 -1.005 . . . . 1.0 108.287 173.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 71.6 ttt-85 -53.01 124.28 13.85 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 125.616 1.566 . . . . 1.0 114.342 -178.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.33 3.15 90.65 Favored Glycine 0 C--N 1.351 1.375 0 C-N-CA 125.414 1.483 . . . . 1.0 114.516 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 69.3 m -135.09 -59.65 0.78 Allowed 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 121.522 -0.987 . . . . 1.0 110.904 -172.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 165.51 -133.9 3.12 Favored Glycine 0 C--N 1.35 1.331 0 O-C-N 119.87 -1.769 . . . . 1.0 113.624 -173.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -141.01 165.75 26.7 Favored 'General case' 0 C--N 1.345 0.374 0 O-C-N 121.756 -0.849 . . . . 1.0 110.348 -172.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -146.29 149.76 34.47 Favored 'General case' 0 C--N 1.347 0.483 0 O-C-N 120.937 -1.102 . . . . 1.0 108.397 -178.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -109.97 139.29 45.23 Favored 'General case' 0 C--N 1.349 0.575 0 N-CA-C 107.602 -1.258 . . . . 1.0 107.602 171.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.8 t -144.6 147.93 33.73 Favored 'General case' 0 CA--C 1.506 -0.747 0 O-C-N 120.409 -1.432 . . . . 1.0 112.864 -171.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 38.6 p . . . . . 0 CA--C 1.511 -0.554 0 C-N-CA 126.512 1.925 . . . . 1.0 111.028 -177.526 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.7 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 104.822 -2.288 . . . . 1.0 104.822 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.2 mt -128.53 120.0 51.62 Favored 'Isoleucine or valine' 0 C--N 1.345 0.406 0 N-CA-C 106.776 -1.565 . . . . 1.0 106.776 162.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -109.42 110.4 21.52 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 107.703 -1.221 . . . . 1.0 107.703 169.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 55.8 ttp -143.77 119.12 10.24 Favored 'General case' 0 N--CA 1.449 -0.478 0 O-C-N 120.465 -1.397 . . . . 1.0 111.068 -173.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 54.96 45.6 26.09 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 116.464 2.024 . . . . 1.0 116.464 174.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.9 6.07 88.74 Favored Glycine 0 C--N 1.346 1.096 0 O-C-N 120.81 -1.181 . . . . 1.0 113.437 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.9 tp -122.83 126.68 47.86 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 124.177 0.991 . . . . 1.0 109.158 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.3 p -122.39 126.48 48.07 Favored 'General case' 0 CA--C 1.51 -0.569 0 O-C-N 120.421 -1.424 . . . . 1.0 111.739 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.9 tt -124.91 137.37 54.28 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 125.213 1.405 . . . . 1.0 109.5 -174.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -120.64 117.13 31.48 Favored Pre-proline 0 N--CA 1.449 -0.512 0 N-CA-C 107.759 -1.2 . . . . 1.0 107.759 176.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_exo -64.66 -32.59 57.41 Favored 'Trans proline' 0 CA--C 1.513 -0.538 0 C-N-CA 122.855 2.37 . . . . 1.0 113.901 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.5 m -70.41 -47.92 58.54 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 118.79 0.723 . . . . 1.0 111.561 -174.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.7 p -87.98 -15.03 37.59 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 120.312 -1.492 . . . . 1.0 112.509 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.2 m170 66.09 28.86 10.19 Favored 'General case' 0 C--N 1.35 0.616 0 C-N-CA 126.674 1.99 . . . . 1.0 113.009 -172.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -97.9 132.41 43.51 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 121.117 -0.989 . . . . 1.0 111.068 -173.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 50.5 t -119.49 126.25 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 C-N-CA 124.875 1.27 . . . . 1.0 107.611 177.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.4 mtp -126.6 146.71 50.05 Favored 'General case' 0 N--CA 1.448 -0.526 0 O-C-N 120.8 -1.188 . . . . 1.0 109.905 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.17 108.33 16.82 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.454 -0.943 . . . . 1.0 108.454 171.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.89 -105.54 0.87 Allowed Glycine 0 C--N 1.349 1.288 0 O-C-N 121.186 -0.946 . . . . 1.0 112.47 -165.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -110.44 4.42 20.55 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.993 1.317 . . . . 1.0 111.576 177.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -98.62 117.14 64.99 Favored Pre-proline 0 C--N 1.35 0.611 0 O-C-N 119.889 -1.757 . . . . 1.0 111.684 -175.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -76.83 139.79 20.03 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 CA-C-N 123.864 2.416 . . . . 1.0 112.004 175.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.4 mt -112.74 166.71 11.11 Favored 'General case' 0 C--N 1.346 0.448 0 C-N-CA 124.98 1.312 . . . . 1.0 110.86 -174.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -128.23 138.35 52.41 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 114.275 1.213 . . . . 1.0 114.275 -175.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 21.6 ptp -162.19 163.22 28.45 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 120.929 -1.107 . . . . 1.0 110.737 177.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.63 175.81 53.42 Favored Glycine 0 C--N 1.35 1.307 0 O-C-N 121.025 -1.047 . . . . 1.0 112.654 171.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -73.69 -33.16 6.84 Favored 'Trans proline' 0 C--N 1.325 -0.686 0 C-N-CA 122.29 1.993 . . . . 1.0 112.555 -168.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.3 m -67.2 -36.55 81.97 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 120.353 1.433 . . . . 1.0 111.692 176.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.03 -41.89 97.27 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.275 -1.516 . . . . 1.0 111.994 170.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -61.18 -44.95 96.49 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 121.12 -0.988 . . . . 1.0 112.707 174.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -60.15 -42.84 95.73 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.803 -1.186 . . . . 1.0 113.178 174.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.7 tp -65.12 -45.73 83.88 Favored 'General case' 0 C--N 1.35 0.615 0 N-CA-C 113.567 0.951 . . . . 1.0 113.567 175.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.9 tp -63.64 -42.73 98.1 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.815 -1.178 . . . . 1.0 112.726 176.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -61.04 -41.56 96.82 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.801 -1.187 . . . . 1.0 113.083 175.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -63.16 -46.24 88.1 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 121.303 -0.873 . . . . 1.0 112.692 172.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -63.24 -41.25 99.07 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 120.188 -1.57 . . . . 1.0 114.831 175.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 85.1 mtp -63.95 -33.05 74.84 Favored 'General case' 0 C--N 1.346 0.446 0 O-C-N 120.205 -1.559 . . . . 1.0 114.55 175.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.8 p -79.53 -13.43 59.55 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 120.338 -1.476 . . . . 1.0 112.934 172.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -129.96 65.21 74.73 Favored Pre-proline 0 C--N 1.352 0.678 0 O-C-N 120.564 -1.335 . . . . 1.0 114.016 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -76.09 149.83 32.89 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.964 2.443 . . . . 1.0 112.218 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 63.57 42.12 6.74 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 127.273 2.229 . . . . 1.0 115.213 173.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -146.64 137.31 23.95 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 120.815 -1.178 . . . . 1.0 108.152 174.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.9 t -89.52 127.09 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-O 122.587 1.184 . . . . 1.0 110.854 -176.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -115.49 128.74 56.22 Favored 'General case' 0 CA--C 1.502 -0.882 0 C-N-CA 125.379 1.471 . . . . 1.0 107.221 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 42.4 p -64.86 161.5 18.16 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 123.876 0.87 . . . . 1.0 111.575 171.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -60.43 -37.08 79.77 Favored 'General case' 0 C--N 1.346 0.439 0 O-C-N 120.277 -1.515 . . . . 1.0 111.915 174.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -60.0 -43.44 95.19 Favored 'General case' 0 C--N 1.348 0.523 0 N-CA-C 114.33 1.233 . . . . 1.0 114.33 170.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -64.38 -41.62 96.59 Favored 'General case' 0 C--N 1.362 1.122 0 O-C-N 119.594 -1.941 . . . . 1.0 112.007 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.39 -42.17 98.29 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.794 -1.191 . . . . 1.0 112.743 173.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 72.3 mt -59.75 -40.26 87.52 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.514 -1.366 . . . . 1.0 113.832 171.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -63.37 -48.48 77.74 Favored 'General case' 0 C--N 1.348 0.536 0 O-C-N 120.376 -1.452 . . . . 1.0 113.029 173.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -78.26 -39.99 38.46 Favored 'General case' 0 C--N 1.345 0.375 0 N-CA-C 115.86 1.8 . . . . 1.0 115.86 -175.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 73.5 t -106.33 -29.51 2.7 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 O-C-N 120.377 -1.452 . . . . 1.0 112.051 -167.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 9.8 m-90 -100.62 -13.98 18.34 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 120.378 -1.451 . . . . 1.0 110.252 177.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.37 22.68 28.72 Favored Glycine 0 C--N 1.346 1.108 0 O-C-N 120.53 -1.356 . . . . 1.0 114.686 166.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.5 m 79.52 -47.76 0.37 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.479 1.512 . . . . 1.0 113.321 168.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -91.04 34.65 0.92 Allowed 'General case' 0 C--N 1.345 0.385 0 C-N-CA 125.891 1.676 . . . . 1.0 111.685 -174.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 77.6 t -125.65 133.73 68.42 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.846 0 N-CA-C 105.338 -2.097 . . . . 1.0 105.338 174.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -118.41 6.09 11.8 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 122.679 1.228 . . . . 1.0 113.837 -148.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.2 m -41.18 157.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 130.419 3.488 . . . . 1.0 116.506 172.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -58.56 162.93 3.48 Favored 'General case' 0 C--N 1.347 0.46 0 O-C-N 120.737 -1.227 . . . . 1.0 113.617 164.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -57.96 -32.6 68.01 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.633 -1.292 . . . . 1.0 113.255 173.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -91.96 0.44 57.47 Favored 'General case' 0 N--CA 1.447 -0.624 0 O-C-N 120.221 -1.549 . . . . 1.0 114.573 -160.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.2 t -73.21 -21.19 60.71 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 119.967 -1.708 . . . . 1.0 110.979 164.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.6 t -63.14 -47.5 92.13 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 O-C-N 120.077 -1.64 . . . . 1.0 111.706 168.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.78 -44.39 90.69 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 126.103 1.761 . . . . 1.0 112.828 176.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 69.5 t -63.76 -43.12 97.87 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 C-N-CA 124.546 1.139 . . . . 1.0 112.84 173.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -66.09 -36.04 82.12 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 119.738 -1.851 . . . . 1.0 113.53 174.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.5 mm -60.28 -41.45 87.08 Favored 'Isoleucine or valine' 0 C--N 1.348 0.515 0 O-C-N 120.27 -1.519 . . . . 1.0 112.723 170.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -60.45 -45.03 95.17 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 120.511 -1.368 . . . . 1.0 112.609 171.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -62.07 -39.35 92.11 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.684 -1.26 . . . . 1.0 113.798 174.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.5 tp -64.16 -45.13 89.8 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 124.713 1.205 . . . . 1.0 113.974 173.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -59.86 -43.19 94.8 Favored 'General case' 0 C--N 1.355 0.804 0 O-C-N 119.813 -1.804 . . . . 1.0 113.721 171.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -59.79 -41.66 91.64 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 121.031 -1.043 . . . . 1.0 113.004 173.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.4 93.61 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 115.144 1.535 . . . . 1.0 115.144 174.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.9 mt -97.99 0.63 46.71 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 121.045 -1.034 . . . . 1.0 112.251 -173.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -61.31 -45.87 95.09 Favored Pre-proline 0 CA--C 1.538 0.5 0 CA-C-O 117.055 -1.45 . . . . 1.0 114.891 172.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -56.94 124.15 15.57 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 CA-C-N 125.369 2.953 . . . . 1.0 112.57 159.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.36 -0.27 89.16 Favored Glycine 0 C--N 1.342 0.916 0 C-N-CA 125.899 1.714 . . . . 1.0 115.334 -172.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 69.3 39.37 81.75 Favored Glycine 0 C--N 1.349 1.303 0 N-CA-C 117.622 1.809 . . . . 1.0 117.622 167.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -109.74 4.45 21.86 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 119.44 1.62 . . . . 1.0 113.011 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -54.7 -33.18 60.59 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.447 -1.408 . . . . 1.0 114.117 167.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -58.64 -27.42 64.73 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 116.764 2.135 . . . . 1.0 116.764 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 59.1 mtp -66.85 -35.84 80.96 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 125.026 1.33 . . . . 1.0 113.88 176.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.8 t -78.36 100.1 3.22 Favored 'Isoleucine or valine' 0 C--N 1.349 0.563 0 C-N-CA 126.234 1.814 . . . . 1.0 110.975 -176.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -121.69 153.08 38.65 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 120.349 -1.469 . . . . 1.0 112.417 -166.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 66.6 m -113.94 134.87 54.55 Favored 'General case' 0 CA--C 1.505 -0.76 0 C-N-CA 124.173 0.989 . . . . 1.0 111.256 -168.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.4 t -114.18 106.92 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 C-N-CA 124.819 1.248 . . . . 1.0 107.992 177.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.6 ttt85 -60.31 129.05 39.75 Favored 'General case' 0 C--N 1.346 0.451 0 C-N-CA 125.431 1.493 . . . . 1.0 113.34 -176.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.13 2.77 90.63 Favored Glycine 0 C--N 1.348 1.236 0 O-C-N 121.091 -1.006 . . . . 1.0 114.072 -178.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 85.7 m -133.49 -63.77 0.74 Allowed 'General case' 0 C--N 1.349 0.559 0 O-C-N 121.152 -1.205 . . . . 1.0 110.334 -176.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 161.85 -130.13 2.24 Favored Glycine 0 C--N 1.347 1.176 0 O-C-N 120.434 -1.416 . . . . 1.0 111.946 -170.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -141.03 160.87 39.15 Favored 'General case' 0 C--N 1.346 0.452 0 O-C-N 121.239 -1.153 . . . . 1.0 112.102 -166.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -144.11 153.0 41.69 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 125.978 1.711 . . . . 1.0 108.466 -173.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -121.7 132.01 54.4 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.393 -1.442 . . . . 1.0 108.186 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.3 t -125.57 141.95 51.76 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.356 -1.465 . . . . 1.0 114.352 -171.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.7 p . . . . . 0 C--N 1.352 0.678 0 C-N-CA 126.833 2.053 . . . . 1.0 112.095 -178.748 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 C--O 1.235 0.308 0 CA-C-O 122.452 1.12 . . . . 1.0 113.465 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.1 mt -104.46 123.61 58.47 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.39 0 N-CA-C 107.004 -1.48 . . . . 1.0 107.004 -178.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -123.13 124.08 42.26 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 121.325 -0.859 . . . . 1.0 111.335 -171.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 36.2 mtt -140.59 117.69 11.23 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.235 1.014 . . . . 1.0 110.918 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 53.19 44.08 30.72 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 115.162 1.542 . . . . 1.0 115.162 169.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.96 -1.21 85.37 Favored Glycine 0 C--N 1.35 1.343 0 O-C-N 120.443 -1.41 . . . . 1.0 116.029 -175.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.0 tp -105.66 127.59 53.15 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 120.711 -1.464 . . . . 1.0 108.272 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.0 p -127.49 129.56 47.64 Favored 'General case' 0 C--N 1.344 0.355 0 O-C-N 120.749 -1.219 . . . . 1.0 111.621 -177.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 tt -122.51 129.17 51.69 Favored 'General case' 0 CA--C 1.511 -0.53 0 C-N-CA 124.949 1.3 . . . . 1.0 109.27 -176.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -109.44 113.15 58.6 Favored Pre-proline 0 N--CA 1.448 -0.569 0 N-CA-C 107.515 -1.291 . . . . 1.0 107.515 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -66.21 -30.06 46.52 Favored 'Trans proline' 0 CA--C 1.508 -0.784 0 C-N-CA 122.658 2.239 . . . . 1.0 113.065 -175.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 83.0 m -84.19 -39.51 19.27 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-O 122.127 0.965 . . . . 1.0 109.511 -174.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.6 t -79.13 -16.94 55.95 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.371 -1.455 . . . . 1.0 113.38 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.0 m170 68.0 27.52 7.06 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 125.826 1.65 . . . . 1.0 112.913 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -125.25 135.65 52.75 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 123.388 0.675 . . . . 1.0 111.434 -163.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.3 t -116.92 128.91 74.21 Favored 'Isoleucine or valine' 0 C--N 1.346 0.441 0 C-N-CA 124.374 1.07 . . . . 1.0 108.867 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 80.3 mtp -122.56 142.4 50.66 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.871 -1.143 . . . . 1.0 109.856 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.09 124.85 40.18 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 121.153 -0.967 . . . . 1.0 109.042 176.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.25 -106.28 1.38 Allowed Glycine 0 C--N 1.35 1.332 0 O-C-N 120.64 -1.288 . . . . 1.0 112.048 -172.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -114.73 4.27 14.95 Favored 'General case' 0 C--N 1.343 0.292 0 O-C-N 121.336 -1.097 . . . . 1.0 112.706 170.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -109.19 130.7 22.44 Favored Pre-proline 0 C--N 1.35 0.592 0 O-C-N 120.305 -1.497 . . . . 1.0 112.531 -167.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.79 139.34 19.72 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 122.503 2.135 . . . . 1.0 112.641 170.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.9 mt -101.22 167.4 10.23 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 125.143 1.377 . . . . 1.0 111.262 -177.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -123.28 129.39 51.29 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 120.612 -1.305 . . . . 1.0 111.844 -177.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.2 ptp -154.5 168.31 27.15 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 120.948 -1.095 . . . . 1.0 111.504 174.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.83 174.56 51.48 Favored Glycine 0 C--N 1.35 1.346 0 O-C-N 120.783 -1.198 . . . . 1.0 113.45 172.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -80.2 -32.31 1.41 Allowed 'Trans proline' 0 C--N 1.326 -0.644 0 C-N-CA 121.889 1.726 . . . . 1.0 112.378 -167.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.7 m -66.0 -37.26 85.48 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 122.68 1.229 . . . . 1.0 110.944 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -62.51 -42.97 99.87 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 124.936 1.294 . . . . 1.0 112.045 175.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -60.78 -42.57 97.8 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 124.601 1.16 . . . . 1.0 113.212 174.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -60.07 -44.65 94.58 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 120.62 -1.3 . . . . 1.0 113.418 177.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.8 tp -64.47 -43.32 94.57 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 121.392 -0.817 . . . . 1.0 113.124 175.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.0 tp -62.77 -43.28 99.22 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 120.715 -1.241 . . . . 1.0 114.009 177.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -61.66 -40.35 94.63 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.565 -1.334 . . . . 1.0 112.353 174.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -62.13 -44.03 97.53 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 124.021 0.929 . . . . 1.0 112.506 172.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -61.77 -44.56 96.65 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 120.105 -1.622 . . . . 1.0 114.723 173.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 98.2 mtp -74.98 -17.28 60.56 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 119.693 -1.88 . . . . 1.0 113.477 -178.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.3 p -94.46 -0.47 54.71 Favored 'General case' 0 C--N 1.345 0.387 0 O-C-N 120.221 -1.549 . . . . 1.0 110.895 172.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -140.88 62.59 17.45 Favored Pre-proline 0 C--N 1.351 0.645 0 O-C-N 121.129 -0.982 . . . . 1.0 112.904 174.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -78.61 150.7 24.79 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 123.605 2.87 . . . . 1.0 111.877 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 64.01 37.37 9.31 Favored 'General case' 0 C--N 1.347 0.459 0 C-N-CA 127.051 2.14 . . . . 1.0 112.437 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -137.32 126.99 25.33 Favored 'General case' 0 C--N 1.346 0.426 0 O-C-N 120.911 -1.118 . . . . 1.0 109.593 -170.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 18.6 t -92.87 129.73 42.98 Favored 'Isoleucine or valine' 0 C--N 1.345 0.407 0 CA-C-O 122.816 1.293 . . . . 1.0 111.324 -175.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -129.38 132.0 46.95 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 125.852 1.661 . . . . 1.0 108.014 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.4 p -74.08 165.41 25.19 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.175 1.39 . . . . 1.0 111.105 169.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 75.4 mtt85 -59.7 -38.12 80.74 Favored 'General case' 0 C--N 1.35 0.629 0 O-C-N 120.486 -1.384 . . . . 1.0 111.895 175.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -57.82 -44.37 86.36 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.647 1.179 . . . . 1.0 113.584 172.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -66.88 -41.22 87.59 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 120.039 -1.663 . . . . 1.0 112.496 175.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.27 -39.77 95.52 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 120.194 -1.566 . . . . 1.0 113.979 174.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.0 mt -60.4 -45.2 94.43 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.567 -1.333 . . . . 1.0 112.771 171.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -60.43 -45.61 93.01 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 113.369 0.878 . . . . 1.0 113.369 175.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -79.64 -45.12 19.66 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 115.848 1.796 . . . . 1.0 115.848 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.7 t -88.83 -46.33 15.49 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 O-C-N 120.167 -1.583 . . . . 1.0 112.503 -170.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 13.8 m-90 -84.49 -42.78 15.22 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 120.87 -1.144 . . . . 1.0 111.03 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 113.94 166.77 16.03 Favored Glycine 0 C--N 1.346 1.127 0 CA-C-O 122.497 1.054 . . . . 1.0 113.516 -173.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.9 p -97.69 -9.64 26.38 Favored 'General case' 0 C--N 1.345 0.412 0 O-C-N 120.594 -1.533 . . . . 1.0 114.409 -169.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -96.01 -2.48 46.8 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 119.685 -1.884 . . . . 1.0 109.346 169.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.3 t -92.79 146.21 6.67 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 C-N-CA 125.869 1.668 . . . . 1.0 108.895 174.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -145.63 140.37 27.29 Favored 'General case' 0 C--N 1.346 0.423 0 O-C-N 120.592 -1.317 . . . . 1.0 109.856 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.1 m -155.33 170.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.453 0 N-CA-C 104.748 -2.316 . . . . 1.0 104.748 -178.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -70.62 157.47 37.89 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.835 -1.166 . . . . 1.0 110.625 172.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -64.63 -28.78 69.85 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 125.959 1.704 . . . . 1.0 110.811 -176.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -15.02 61.43 Favored 'General case' 0 N--CA 1.434 -1.243 0 C-N-CA 126.548 1.939 . . . . 1.0 113.849 -179.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.3 m -64.89 -30.36 71.36 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 119.798 -1.814 . . . . 1.0 111.884 168.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.2 t -65.7 -47.12 87.17 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 O-C-N 120.491 -1.381 . . . . 1.0 112.367 168.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.38 -44.95 84.89 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 125.398 1.479 . . . . 1.0 113.734 178.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.86 -42.8 97.04 Favored 'Isoleucine or valine' 0 C--N 1.347 0.476 0 C-N-CA 124.689 1.196 . . . . 1.0 112.207 174.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 53.3 m-70 -66.65 -34.48 77.96 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 119.651 -1.906 . . . . 1.0 114.287 174.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.9 mm -60.91 -43.03 94.94 Favored 'Isoleucine or valine' 0 C--N 1.344 0.336 0 O-C-N 120.172 -1.58 . . . . 1.0 112.354 171.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -61.08 -45.15 95.9 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.908 -1.12 . . . . 1.0 112.894 171.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -62.18 -39.51 92.96 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 120.47 -1.394 . . . . 1.0 113.877 176.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 41.5 tp -64.72 -45.32 87.05 Favored 'General case' 0 C--N 1.349 0.554 0 N-CA-C 113.885 1.068 . . . . 1.0 113.885 172.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -60.96 -43.52 98.63 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 120.087 -1.633 . . . . 1.0 113.569 172.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -60.15 -37.35 79.85 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 120.423 -1.423 . . . . 1.0 113.044 174.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.57 -38.45 91.18 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 115.355 1.613 . . . . 1.0 115.355 172.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.0 mt -94.57 -6.83 42.74 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 120.769 -1.207 . . . . 1.0 111.643 -174.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -61.92 -43.81 88.19 Favored Pre-proline 0 C--N 1.349 0.56 0 C-N-CA 125.816 1.646 . . . . 1.0 114.796 174.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -57.32 -24.97 62.92 Favored 'Trans proline' 0 CA--C 1.515 -0.448 0 C-N-CA 123.328 2.685 . . . . 1.0 114.395 168.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -95.59 0.97 63.56 Favored Glycine 0 C--N 1.346 1.115 0 C-N-CA 124.346 0.974 . . . . 1.0 114.183 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 60.67 28.65 68.3 Favored Glycine 0 C--N 1.351 1.374 0 CA-C-N 119.071 1.435 . . . . 1.0 115.359 -178.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 47.1 m80 -127.56 13.06 6.98 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 121.147 -1.208 . . . . 1.0 112.343 -174.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -56.38 -31.36 63.76 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 125.823 1.649 . . . . 1.0 114.19 167.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -56.55 -29.05 61.51 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 127.853 2.461 . . . . 1.0 116.253 178.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 40.9 mtp -65.28 -34.04 77.4 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 119.707 -1.871 . . . . 1.0 113.86 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 40.8 t -76.1 111.41 12.58 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 C-N-CA 125.525 1.53 . . . . 1.0 111.067 174.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -117.23 150.0 39.48 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 120.399 -1.438 . . . . 1.0 110.785 -172.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 27.9 m -111.44 137.3 49.42 Favored 'General case' 0 CA--C 1.51 -0.58 0 C-N-CA 123.884 0.873 . . . . 1.0 109.42 -176.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.6 t -118.95 109.71 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 O-C-N 120.77 -1.206 . . . . 1.0 107.895 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 44.3 ttt85 -54.79 111.68 0.87 Allowed 'General case' 0 C--N 1.354 0.783 0 N-CA-C 115.164 1.542 . . . . 1.0 115.164 -172.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.01 0.82 89.41 Favored Glycine 0 C--N 1.35 1.306 0 O-C-N 120.463 -1.398 . . . . 1.0 113.741 175.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.2 m -119.99 -36.19 3.33 Favored 'General case' 0 CA--C 1.51 -0.576 0 C-N-CA 123.976 0.91 . . . . 1.0 109.593 -174.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 138.65 -129.03 4.33 Favored Glycine 0 C--N 1.351 1.365 0 O-C-N 120.533 -1.354 . . . . 1.0 112.733 177.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -139.18 165.44 27.14 Favored 'General case' 0 CA--C 1.509 -0.604 0 O-C-N 121.649 -0.913 . . . . 1.0 111.098 -172.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -145.68 147.05 31.56 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.59 1.156 . . . . 1.0 108.557 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -117.49 141.68 48.06 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 106.767 -1.568 . . . . 1.0 106.767 174.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.0 t -143.84 141.0 30.12 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 120.41 -1.431 . . . . 1.0 112.711 -173.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.1 p . . . . . 0 C--N 1.349 0.577 0 C-N-CA 123.875 0.87 . . . . 1.0 111.829 174.309 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.2 t . . . . . 0 C--O 1.236 0.349 0 N-CA-C 112.705 0.631 . . . . 1.0 112.705 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.6 mt -111.67 117.79 55.99 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 N-CA-C 106.83 -1.544 . . . . 1.0 106.83 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -127.08 119.43 26.53 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 121.342 -0.849 . . . . 1.0 110.308 -174.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -162.02 149.01 13.89 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-O 121.946 0.879 . . . . 1.0 111.161 172.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 50.62 49.62 20.5 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 127.207 2.203 . . . . 1.0 115.882 177.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.05 3.0 73.98 Favored Glycine 0 C--N 1.348 1.245 0 N-CA-C 115.293 0.877 . . . . 1.0 115.293 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.0 tp -122.33 130.54 53.23 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 123.592 0.757 . . . . 1.0 110.908 -174.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.6 p -127.82 126.14 41.11 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 122.864 1.316 . . . . 1.0 112.62 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.3 tt -124.26 126.38 45.98 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 120.222 -1.549 . . . . 1.0 110.019 -175.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -112.43 109.61 53.64 Favored Pre-proline 0 C--N 1.349 0.55 0 N-CA-C 107.378 -1.341 . . . . 1.0 107.378 177.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.78 -29.84 34.86 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 122.576 2.184 . . . . 1.0 111.698 175.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.3 m -63.16 -41.21 99.22 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 125.02 1.328 . . . . 1.0 112.094 -178.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.9 m -101.18 -2.89 30.18 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 121.024 -1.048 . . . . 1.0 112.846 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.6 m170 61.87 38.77 14.35 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 125.314 1.446 . . . . 1.0 114.428 -178.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.3 ttt180 -124.26 133.54 53.47 Favored 'General case' 0 N--CA 1.444 -0.742 0 O-C-N 121.49 -0.756 . . . . 1.0 112.494 -171.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.2 t -112.54 130.37 66.42 Favored 'Isoleucine or valine' 0 C--N 1.346 0.425 0 N-CA-C 107.123 -1.436 . . . . 1.0 107.123 172.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.8 mtp -124.82 146.65 49.15 Favored 'General case' 0 N--CA 1.443 -0.811 0 O-C-N 121.131 -0.98 . . . . 1.0 109.179 174.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.71 115.36 21.28 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 106.297 -1.742 . . . . 1.0 106.297 168.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.83 -129.71 35.89 Favored Glycine 0 C--N 1.349 1.279 0 O-C-N 121.532 -0.73 . . . . 1.0 112.399 -165.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -97.26 10.43 39.55 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 121.408 -1.054 . . . . 1.0 112.046 178.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -112.78 122.65 35.58 Favored Pre-proline 0 N--CA 1.445 -0.694 0 O-C-N 121.052 -1.03 . . . . 1.0 111.202 -172.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.93 145.67 32.01 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.771 2.314 . . . . 1.0 111.65 175.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.9 mt -103.47 159.6 15.45 Favored 'General case' 0 CA--C 1.512 -0.498 0 C-N-CA 124.049 0.94 . . . . 1.0 111.091 -178.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -119.24 126.22 51.0 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.852 0.834 . . . . 1.0 110.556 -177.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.0 ptp -159.5 171.37 19.8 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 107.161 -1.422 . . . . 1.0 107.161 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.66 173.02 43.28 Favored Glycine 0 C--N 1.352 1.431 0 O-C-N 120.761 -1.212 . . . . 1.0 113.165 175.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -63.11 -37.89 49.26 Favored 'Trans proline' 0 C--N 1.33 -0.422 0 C-N-CA 123.307 2.671 . . . . 1.0 114.526 -178.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.7 m -64.7 -41.61 95.89 Favored 'General case' 0 C--N 1.347 0.494 0 C-N-CA 123.98 0.912 . . . . 1.0 111.831 176.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -62.66 -42.01 99.38 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.769 -1.207 . . . . 1.0 112.639 171.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -59.71 -47.56 85.15 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 124.267 1.027 . . . . 1.0 112.955 175.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -63.84 -41.54 97.8 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 120.786 -1.196 . . . . 1.0 113.101 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.1 tp -62.02 -43.93 97.79 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 121.04 -1.037 . . . . 1.0 113.106 172.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.4 tp -63.8 -40.99 97.96 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.731 -1.231 . . . . 1.0 113.224 174.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -58.81 -44.67 90.87 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 120.526 -1.359 . . . . 1.0 112.192 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.58 -46.12 91.2 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 121.281 -0.887 . . . . 1.0 112.934 174.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -62.89 -42.17 99.68 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 115.035 1.495 . . . . 1.0 115.035 173.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 87.9 mtp -72.52 -19.33 61.54 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 119.522 -1.986 . . . . 1.0 114.048 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.0 t -98.59 6.64 46.93 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.769 -1.207 . . . . 1.0 111.197 170.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -141.64 62.66 15.41 Favored Pre-proline 0 C--N 1.356 0.868 0 O-C-N 120.362 -1.461 . . . . 1.0 113.861 170.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -77.3 155.23 32.61 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 123.159 2.573 . . . . 1.0 112.042 177.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 61.61 45.81 7.8 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 127.104 2.162 . . . . 1.0 113.729 177.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -150.33 140.59 22.23 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.445 -0.946 . . . . 1.0 108.445 172.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.4 t -84.94 137.22 21.21 Favored 'Isoleucine or valine' 0 C--N 1.346 0.451 0 CA-C-O 122.45 1.119 . . . . 1.0 110.428 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -125.95 126.31 44.15 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 106.751 -1.574 . . . . 1.0 106.751 173.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.9 p -64.21 158.65 22.57 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 121.451 -0.781 . . . . 1.0 111.589 169.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -58.6 -36.51 74.14 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 120.318 -1.489 . . . . 1.0 111.759 174.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -59.43 -43.44 93.1 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 113.929 1.085 . . . . 1.0 113.929 171.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -65.79 -42.51 90.64 Favored 'General case' 0 C--N 1.361 1.079 0 O-C-N 119.847 -1.783 . . . . 1.0 112.68 173.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.55 -42.19 98.46 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.967 -1.083 . . . . 1.0 112.594 176.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 58.6 mt -59.12 -48.9 79.91 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 121.332 -0.855 . . . . 1.0 112.812 171.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -62.0 -44.42 96.76 Favored 'General case' 0 C--N 1.346 0.451 0 O-C-N 120.906 -1.121 . . . . 1.0 113.615 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -72.29 -42.17 65.82 Favored 'General case' 0 C--N 1.347 0.463 0 N-CA-C 116.716 2.117 . . . . 1.0 116.716 177.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.3 t -104.39 -36.31 3.88 Favored 'Isoleucine or valine' 0 C--N 1.351 0.655 0 O-C-N 120.152 -1.592 . . . . 1.0 112.773 -167.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 10.2 m-90 -90.36 -41.17 11.65 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 120.803 -1.186 . . . . 1.0 109.843 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 125.34 162.01 11.2 Favored Glycine 0 C--N 1.346 1.122 0 CA-C-O 123.541 1.634 . . . . 1.0 113.816 -177.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.2 p -83.92 -20.21 33.36 Favored 'General case' 0 CA--C 1.514 -0.425 0 O-C-N 120.789 -1.418 . . . . 1.0 112.081 -177.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -100.58 22.32 12.0 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.337 1.055 . . . . 1.0 110.348 175.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.5 t -113.6 136.79 48.88 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.69 0 N-CA-C 107.391 -1.337 . . . . 1.0 107.391 177.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -125.93 9.0 7.48 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 122.953 1.358 . . . . 1.0 113.76 -149.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.9 m -53.12 154.69 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 128.352 2.661 . . . . 1.0 115.578 175.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -59.86 157.65 12.01 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 125.248 1.419 . . . . 1.0 113.166 165.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -62.31 -28.47 69.76 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 120.657 -1.277 . . . . 1.0 113.358 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -72.55 -17.94 61.67 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 120.623 -1.298 . . . . 1.0 114.115 -169.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.4 ' O ' ' HD2' ' A' ' 73' ' ' HIS . 10.9 t -70.43 -20.92 62.87 Favored 'General case' 0 C--N 1.354 0.792 0 O-C-N 119.728 -1.857 . . . . 1.0 112.418 172.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.0 t -64.42 -47.61 88.69 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 O-C-N 119.538 -1.976 . . . . 1.0 111.78 167.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.23 -44.0 92.35 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 124.929 1.292 . . . . 1.0 112.796 177.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 69.2 t -64.1 -43.71 97.52 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 C-N-CA 125.2 1.4 . . . . 1.0 113.178 175.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.4 ' HD2' ' O ' ' A' ' 69' ' ' THR . 86.5 m-70 -68.78 -34.68 75.96 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 119.598 -1.939 . . . . 1.0 112.938 175.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.8 mm -61.17 -41.28 88.86 Favored 'Isoleucine or valine' 0 C--N 1.35 0.618 0 O-C-N 120.307 -1.496 . . . . 1.0 112.858 170.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.8 ttt-85 -58.64 -44.39 90.06 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 120.493 -1.38 . . . . 1.0 113.027 173.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 68.2 mtt-85 -62.4 -42.28 99.31 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 124.623 1.169 . . . . 1.0 113.925 174.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.9 tp -62.81 -44.95 94.81 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.141 0.976 . . . . 1.0 113.089 176.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -59.22 -43.08 92.34 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.275 -1.515 . . . . 1.0 114.566 171.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -59.85 -39.07 83.94 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 121.001 -1.062 . . . . 1.0 113.731 178.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.21 -40.06 95.28 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 114.539 1.311 . . . . 1.0 114.539 171.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 66.7 mt -90.32 -11.03 41.93 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 119.906 -1.746 . . . . 1.0 112.813 -173.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -66.98 -41.72 37.65 Favored Pre-proline 0 C--N 1.344 0.359 0 N-CA-C 117.126 2.269 . . . . 1.0 117.126 -177.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -59.96 -34.47 95.08 Favored 'Trans proline' 0 CA--C 1.521 -0.163 0 CA-C-N 124.902 2.787 . . . . 1.0 114.956 176.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -86.15 -4.21 84.3 Favored Glycine 0 C--N 1.347 1.168 0 CA-C-N 119.074 0.852 . . . . 1.0 114.831 172.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 73.57 33.62 58.08 Favored Glycine 0 C--N 1.347 1.18 0 O-C-N 120.645 -1.503 . . . . 1.0 115.695 177.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -107.65 -6.16 17.05 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 120.871 -1.37 . . . . 1.0 112.087 178.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -56.1 -40.61 73.94 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 126.665 1.986 . . . . 1.0 115.127 175.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -70.37 -14.41 62.56 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 126.923 2.089 . . . . 1.0 114.387 -170.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -93.54 2.4 56.42 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 121.243 -0.911 . . . . 1.0 112.049 173.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.6 t -91.36 96.13 6.07 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 N-CA-C 107.09 -1.448 . . . . 1.0 107.09 164.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -97.77 156.16 16.7 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 120.785 -1.197 . . . . 1.0 111.765 -168.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 86.6 m -111.59 140.44 46.2 Favored 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 123.644 0.778 . . . . 1.0 109.953 -177.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.8 t -116.5 110.56 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 C-N-CA 124.765 1.226 . . . . 1.0 108.042 174.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 53.2 ttt-85 -58.37 127.15 30.68 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 125.789 1.636 . . . . 1.0 113.403 -176.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.21 3.98 90.56 Favored Glycine 0 C--N 1.349 1.256 0 C-N-CA 124.609 1.099 . . . . 1.0 114.085 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 96.2 m -139.7 -63.08 0.51 Allowed 'General case' 0 CA--C 1.51 -0.561 0 CA-C-N 118.556 1.178 . . . . 1.0 111.695 -171.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 169.68 -130.93 2.14 Favored Glycine 0 C--N 1.347 1.187 0 O-C-N 119.762 -1.836 . . . . 1.0 113.385 -172.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -145.93 164.92 30.49 Favored 'General case' 0 C--N 1.346 0.43 0 O-C-N 121.535 -0.98 . . . . 1.0 111.344 -165.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 70.3 ttt-85 -148.39 145.5 28.08 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 124.806 1.243 . . . . 1.0 109.002 -174.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -117.99 144.99 45.06 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 120.286 -1.509 . . . . 1.0 109.794 176.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.7 t -140.58 163.7 32.14 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 120.391 -1.443 . . . . 1.0 111.637 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 35.3 p . . . . . 0 CA--C 1.512 -0.507 0 C-N-CA 124.489 1.116 . . . . 1.0 109.299 169.599 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.9 mtm . . . . . 0 N--CA 1.497 1.91 0 N-CA-C 113.683 0.994 . . . . 1.0 113.683 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.74 -16.28 13.63 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 121.173 -0.954 . . . . 1.0 112.742 -176.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.0 p -62.18 136.68 25.18 Favored 'Isoleucine or valine' 0 C--N 1.348 0.535 0 O-C-N 120.411 -1.43 . . . . 1.0 111.802 169.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -76.18 155.3 34.66 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 120.263 -1.523 . . . . 1.0 112.6 -175.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -135.27 125.6 26.47 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 124.857 1.263 . . . . 1.0 109.094 -172.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.4 p -29.99 137.83 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 128.969 2.908 . . . . 1.0 117.033 164.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.5 mt -109.41 123.54 65.38 Favored 'Isoleucine or valine' 0 C--N 1.346 0.445 0 N-CA-C 106.274 -1.75 . . . . 1.0 106.274 173.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -127.71 117.28 21.63 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 121.161 -0.962 . . . . 1.0 110.979 177.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 18.5 ptm -147.59 134.35 20.03 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 120.734 -1.229 . . . . 1.0 109.781 -174.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 47.59 45.49 17.7 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 116.01 1.856 . . . . 1.0 116.01 177.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.77 5.85 86.69 Favored Glycine 0 C--N 1.348 1.242 0 O-C-N 120.041 -1.662 . . . . 1.0 115.864 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.9 tp -119.07 127.81 53.75 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 118.858 1.329 . . . . 1.0 109.047 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 87.9 p -124.33 128.82 49.67 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-O 122.488 1.137 . . . . 1.0 112.105 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.8 tt -125.26 126.54 45.31 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 120.473 -1.392 . . . . 1.0 109.11 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -109.86 110.9 58.99 Favored Pre-proline 0 N--CA 1.448 -0.535 0 O-C-N 121.1 -1.0 . . . . 1.0 108.392 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -66.52 -28.89 45.2 Favored 'Trans proline' 0 CA--C 1.511 -0.652 0 C-N-CA 122.691 2.261 . . . . 1.0 113.39 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.4 m -72.17 -45.04 62.04 Favored 'General case' 0 C--N 1.348 0.522 0 CA-C-O 122.003 0.906 . . . . 1.0 111.16 -177.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -89.83 -9.9 47.41 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 120.445 -1.409 . . . . 1.0 112.538 -174.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 35.8 m170 61.58 44.97 8.59 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 125.523 1.529 . . . . 1.0 111.627 -172.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -123.62 122.21 37.56 Favored 'General case' 0 N--CA 1.447 -0.605 0 O-C-N 121.555 -0.716 . . . . 1.0 111.234 -165.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.2 t -112.01 129.39 67.56 Favored 'Isoleucine or valine' 0 C--N 1.346 0.428 0 N-CA-C 107.146 -1.427 . . . . 1.0 107.146 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 46.5 mtp -135.27 145.53 47.65 Favored 'General case' 0 N--CA 1.446 -0.626 0 O-C-N 120.78 -1.2 . . . . 1.0 108.903 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.25 120.28 32.64 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 107.387 -1.338 . . . . 1.0 107.387 175.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.78 29.57 72.59 Favored Glycine 0 C--N 1.348 1.228 0 O-C-N 121.144 -0.972 . . . . 1.0 114.465 -175.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 63.27 34.72 13.05 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 126.781 2.032 . . . . 1.0 114.118 -173.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -130.53 129.99 22.87 Favored Pre-proline 0 N--CA 1.45 -0.444 0 N-CA-C 107.258 -1.386 . . . . 1.0 107.258 171.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -68.2 155.63 68.71 Favored 'Trans proline' 0 C--N 1.332 -0.328 0 C-N-CA 123.025 2.483 . . . . 1.0 115.165 -169.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.8 mt -124.79 155.94 38.55 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 106.676 -1.601 . . . . 1.0 106.676 169.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -126.8 133.27 50.84 Favored 'General case' 0 C--N 1.343 0.291 0 O-C-N 121.595 -0.691 . . . . 1.0 111.307 -169.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.9 ptp -160.71 158.44 28.72 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 122.173 0.987 . . . . 1.0 112.155 -178.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.96 174.56 43.23 Favored Glycine 0 C--N 1.349 1.256 0 C-N-CA 124.184 0.897 . . . . 1.0 115.098 175.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -78.77 -30.99 2.65 Favored 'Trans proline' 0 C--N 1.326 -0.654 0 C-N-CA 122.182 1.922 . . . . 1.0 112.879 -167.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.0 m -66.55 -39.41 88.52 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 120.303 1.411 . . . . 1.0 110.812 172.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -43.72 94.37 Favored 'General case' 0 C--N 1.348 0.539 0 C-N-CA 125.463 1.505 . . . . 1.0 111.893 174.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -61.07 -45.31 95.26 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 121.052 -1.03 . . . . 1.0 113.044 174.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -64.49 -41.29 96.55 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.503 -1.373 . . . . 1.0 113.711 178.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.6 tp -62.22 -43.14 99.5 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 120.584 -1.322 . . . . 1.0 113.02 172.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.4 tp -62.61 -42.44 99.58 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.845 -1.16 . . . . 1.0 113.299 173.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -60.62 -43.01 97.99 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 120.571 -1.331 . . . . 1.0 112.846 173.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -62.15 -46.02 90.84 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 120.749 -1.219 . . . . 1.0 112.816 173.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -64.43 -43.28 94.84 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.321 -1.487 . . . . 1.0 114.797 174.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 97.3 mtp -72.41 -20.86 61.35 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 119.667 -1.896 . . . . 1.0 113.667 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.2 p -84.99 -12.54 53.01 Favored 'General case' 0 C--N 1.345 0.405 0 O-C-N 120.351 -1.468 . . . . 1.0 111.533 170.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -133.2 62.76 62.96 Favored Pre-proline 0 C--N 1.35 0.63 0 N-CA-C 114.735 1.383 . . . . 1.0 114.735 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -74.22 149.72 41.08 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.621 2.214 . . . . 1.0 111.404 172.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.462 ' CD ' HH21 ' A' ' 99' ' ' ARG . 8.5 tp10 68.15 48.04 0.97 Allowed 'General case' 0 C--N 1.349 0.553 0 C-N-CA 125.971 1.708 . . . . 1.0 113.205 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -151.5 140.45 21.03 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 120.081 -1.637 . . . . 1.0 110.101 172.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.3 t -88.8 134.95 26.95 Favored 'Isoleucine or valine' 0 C--N 1.346 0.453 0 O-C-N 120.785 -1.197 . . . . 1.0 110.363 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -126.34 126.6 44.18 Favored 'General case' 0 CA--C 1.507 -0.697 0 C-N-CA 125.153 1.381 . . . . 1.0 108.802 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 81.9 p -74.0 164.44 26.63 Favored 'General case' 0 C--N 1.345 0.4 0 O-C-N 121.263 -0.898 . . . . 1.0 110.977 170.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -60.52 -32.87 71.88 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.291 -1.506 . . . . 1.0 112.483 177.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.56 -44.51 93.24 Favored 'General case' 0 C--N 1.35 0.593 0 N-CA-C 114.769 1.396 . . . . 1.0 114.769 170.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -65.31 -41.92 93.57 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.648 -1.282 . . . . 1.0 112.176 177.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.44 -41.78 98.98 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 121.249 -0.907 . . . . 1.0 112.836 174.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 66.2 mt -60.67 -47.4 86.43 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 120.496 -1.378 . . . . 1.0 113.94 173.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -64.36 -43.59 94.07 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 120.71 -1.244 . . . . 1.0 113.456 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -71.5 -48.31 49.79 Favored 'General case' 0 C--N 1.349 0.577 0 N-CA-C 115.961 1.838 . . . . 1.0 115.961 175.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.3 t -94.91 -53.33 8.43 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.499 0 O-C-N 119.65 -1.906 . . . . 1.0 111.85 -165.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 16.1 m-90 -71.66 -44.08 64.94 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 121.14 -0.975 . . . . 1.0 111.442 176.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 124.82 153.17 8.48 Favored Glycine 0 C--N 1.345 1.045 0 CA-C-O 122.472 1.04 . . . . 1.0 112.303 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 52.8 p -64.36 -43.25 95.12 Favored 'General case' 0 C--N 1.342 0.281 0 C-N-CA 125.766 1.626 . . . . 1.0 114.091 -176.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -101.84 7.26 41.72 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 120.679 -1.263 . . . . 1.0 110.545 -173.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.6 t -89.38 140.85 15.17 Favored 'Isoleucine or valine' 0 C--N 1.346 0.448 0 C-N-CA 125.628 1.571 . . . . 1.0 108.35 175.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -128.77 127.01 41.14 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 122.466 1.127 . . . . 1.0 112.878 -171.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.5 m -154.54 174.83 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.448 0 C-N-CA 127.58 2.352 . . . . 1.0 105.513 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -74.68 157.39 35.39 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 124.243 1.017 . . . . 1.0 112.371 169.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.19 -29.35 69.75 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 125.189 1.396 . . . . 1.0 112.218 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -88.04 6.02 38.14 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.698 -1.251 . . . . 1.0 112.517 -176.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.8 m -62.57 -36.36 82.45 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 119.816 -1.802 . . . . 1.0 111.447 156.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.4 t -61.68 -45.36 98.83 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 O-C-N 120.411 -1.43 . . . . 1.0 112.453 176.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.06 -46.23 79.02 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 126.165 1.786 . . . . 1.0 113.887 178.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 80.1 t -65.02 -42.15 93.92 Favored 'Isoleucine or valine' 0 C--N 1.346 0.444 0 C-N-CA 124.327 1.051 . . . . 1.0 112.114 175.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -68.24 -35.71 78.35 Favored 'General case' 0 C--N 1.345 0.372 0 O-C-N 119.998 -1.689 . . . . 1.0 113.879 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 9.7 mm -60.13 -42.26 89.43 Favored 'Isoleucine or valine' 0 C--N 1.348 0.501 0 O-C-N 120.604 -1.31 . . . . 1.0 112.083 170.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -61.38 -44.08 97.77 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 120.771 -1.206 . . . . 1.0 112.79 171.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.68 -41.5 97.65 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.839 -1.163 . . . . 1.0 113.889 175.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.7 tp -65.2 -45.45 84.73 Favored 'General case' 0 C--N 1.348 0.523 0 N-CA-C 113.565 0.95 . . . . 1.0 113.565 173.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -60.64 -44.23 96.62 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 119.926 -1.734 . . . . 1.0 113.539 172.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -58.59 -40.4 83.08 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 124.749 1.219 . . . . 1.0 112.698 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.65 -38.16 90.07 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 115.451 1.648 . . . . 1.0 115.451 173.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.8 mt -95.14 -9.81 32.43 Favored 'General case' 0 C--N 1.358 0.966 0 O-C-N 120.623 -1.298 . . . . 1.0 111.623 -174.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -60.1 -45.96 97.92 Favored Pre-proline 0 C--N 1.346 0.456 0 CA-C-O 116.491 -1.719 . . . . 1.0 115.546 177.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -76.56 -14.88 17.69 Favored 'Trans proline' 0 CA--C 1.515 -0.467 0 CA-C-N 125.181 2.886 . . . . 1.0 110.534 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -89.16 1.49 82.76 Favored Glycine 0 C--N 1.345 1.076 0 C-N-CA 124.696 1.141 . . . . 1.0 113.322 171.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 74.57 15.16 80.64 Favored Glycine 0 C--N 1.351 1.378 0 CA-C-N 118.664 1.232 . . . . 1.0 115.65 174.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -122.11 9.0 9.83 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 121.071 -1.252 . . . . 1.0 114.235 -169.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -54.83 -35.38 63.89 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 115.374 1.62 . . . . 1.0 115.374 169.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.5 ptt-85 -69.76 -13.65 62.39 Favored 'General case' 0 C--N 1.349 0.569 0 N-CA-C 116.131 1.9 . . . . 1.0 116.131 -174.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 58.9 mtp -66.03 -36.25 82.75 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 120.681 -1.262 . . . . 1.0 113.089 168.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 56.3 t -80.42 98.06 3.38 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 C-N-CA 126.753 2.021 . . . . 1.0 110.418 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -114.67 161.07 18.6 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 124.521 1.129 . . . . 1.0 112.536 -168.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.1 m -116.71 131.09 57.04 Favored 'General case' 0 CA--C 1.508 -0.643 0 C-N-CA 124.252 1.021 . . . . 1.0 111.718 -168.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.0 t -110.25 103.03 14.84 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 N-CA-C 107.353 -1.351 . . . . 1.0 107.353 174.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.15 128.67 36.9 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.71 -1.244 . . . . 1.0 113.039 -176.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.45 5.61 89.39 Favored Glycine 0 C--N 1.351 1.371 0 C-N-CA 124.137 0.875 . . . . 1.0 114.438 -178.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 57.3 m -139.93 -60.18 0.54 Allowed 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 118.2 1.0 . . . . 1.0 110.884 -178.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 170.16 -133.43 2.81 Favored Glycine 0 C--N 1.349 1.274 0 O-C-N 119.879 -1.763 . . . . 1.0 113.582 -173.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -139.23 163.1 33.34 Favored 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 121.699 -0.883 . . . . 1.0 109.809 -170.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.462 HH21 ' CD ' ' A' ' 46' ' ' GLU . 56.7 ttt-85 -146.37 150.29 35.4 Favored 'General case' 0 C--N 1.347 0.48 0 N-CA-C 107.947 -1.131 . . . . 1.0 107.947 -177.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -118.39 139.89 50.69 Favored 'General case' 0 C--N 1.348 0.534 0 O-C-N 120.405 -1.434 . . . . 1.0 107.77 176.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.7 t -150.53 147.19 27.17 Favored 'General case' 0 CA--C 1.509 -0.628 0 O-C-N 120.662 -1.274 . . . . 1.0 109.766 -171.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.5 p -62.0 -37.97 86.83 Favored 'General case' 0 C--N 1.346 0.416 0 N-CA-C 113.781 1.03 . . . . 1.0 113.781 173.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -153.45 -62.45 0.14 Allowed 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 123.18 0.592 . . . . 1.0 110.69 177.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 29.2 t80 . . . . . 0 C--O 1.261 1.671 0 C-N-CA 124.918 1.287 . . . . 1.0 111.214 -170.602 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.568 0 O5'-C5'-C4' 113.556 2.397 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.549 4.739 0 O5'-C5'-C4' 113.364 2.26 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.461 0 O5'-C5'-C4' 113.145 2.104 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.426 0 C5'-C4'-C3' 120.101 3.6 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 4 C3'--C2' 1.24 -27.81 6 O4'-C1'-C2' 94.435 -10.604 . . . . 1.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.562 -3.716 0 OP1-P-OP2 115.269 -2.888 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.354 0 OP1-P-OP2 115.923 -2.451 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.814 0 O4'-C1'-C2' 102.868 -2.938 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.251 0 OP1-P-OP2 116.339 -2.174 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.094 0 P-O3'-C3' 122.919 2.682 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.569 -3.146 0 P-O3'-C3' 123.978 3.565 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.407 0 OP1-P-OP2 115.492 -2.739 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.39 0 OP1-P-OP2 116.903 -1.798 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.406 0 OP1-P-OP2 116.0 -2.4 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.44 0 OP1-P-OP2 116.887 -1.809 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.574 -2.75 0 P-O5'-C5' 117.614 -2.054 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.715 0 O5'-C5'-C4' 114.553 3.109 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.553 0 P-O5'-C5' 117.657 -2.027 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.57 -3.087 0 P-O3'-C3' 122.695 2.496 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.464 0 OP1-P-OP2 116.109 -2.327 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.673 0 OP1-P-OP2 116.466 -2.09 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.447 0 OP1-P-OP2 115.666 -2.623 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.564 -3.602 1 P-O3'-C3' 125.656 4.963 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.557 -4.146 0 OP1-P-OP2 115.851 -2.499 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.674 0 O5'-C5'-C4' 114.278 2.913 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.571 -2.985 0 P-O5'-C5' 116.699 -2.625 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.569 -3.134 0 OP1-P-OP2 115.637 -2.642 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.572 -2.891 0 P-O5'-C5' 115.413 -3.429 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.562 -3.087 0 OP1-P-OP2 116.523 -2.052 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.5 0 P-O3'-C3' 123.575 3.229 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.454 0 OP1-P-OP2 115.904 -2.464 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.985 0 OP1-P-OP2 116.017 -2.389 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.1 mtt . . . . . 0 N--CA 1.487 1.404 0 N-CA-C 114.765 1.394 . . . . 1.0 114.765 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.98 -10.89 13.46 Favored 'General case' 0 N--CA 1.447 -0.578 0 O-C-N 120.972 -1.08 . . . . 1.0 113.697 -177.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.8 m -101.95 -4.39 9.32 Favored 'Isoleucine or valine' 0 C--N 1.349 0.563 0 O-C-N 120.73 -1.231 . . . . 1.0 112.949 -171.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -59.65 150.35 27.79 Favored 'General case' 0 C--N 1.346 0.444 0 C-N-CA 126.063 1.745 . . . . 1.0 113.151 166.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -91.97 1.7 57.02 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 119.463 -2.023 . . . . 1.0 113.188 -171.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 p -146.94 138.84 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 104.509 -2.404 . . . . 1.0 104.509 163.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.0 mt -116.11 124.13 72.08 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 N-CA-C 106.938 -1.504 . . . . 1.0 106.938 -178.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -124.21 120.61 32.77 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-O 122.432 1.11 . . . . 1.0 111.549 -173.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 47.3 mtt -133.68 124.33 26.55 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.865 1.266 . . . . 1.0 109.038 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 59.66 32.62 21.61 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 115.387 1.625 . . . . 1.0 115.387 167.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.42 3.87 90.55 Favored Glycine 0 C--N 1.352 1.441 0 O-C-N 120.078 -1.639 . . . . 1.0 115.839 -172.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.9 tp -112.24 124.84 53.32 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.896 1.278 . . . . 1.0 108.426 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.6 p -125.98 136.13 52.64 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 120.521 -1.362 . . . . 1.0 113.292 -177.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 tt -123.71 130.7 53.04 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 125.502 1.521 . . . . 1.0 110.459 -173.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -117.02 114.27 39.15 Favored Pre-proline 0 C--O 1.238 0.468 0 N-CA-C 107.29 -1.374 . . . . 1.0 107.29 177.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -65.29 -31.48 52.96 Favored 'Trans proline' 0 CA--C 1.513 -0.548 0 C-N-CA 122.666 2.244 . . . . 1.0 114.742 -178.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.9 m -73.88 -45.07 53.15 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 122.211 1.005 . . . . 1.0 110.335 -176.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.8 t -79.46 -17.27 54.58 Favored 'General case' 0 C--N 1.345 0.377 0 O-C-N 120.666 -1.271 . . . . 1.0 112.89 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.5 m170 63.54 36.78 10.88 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 125.599 1.56 . . . . 1.0 112.273 -173.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -117.49 126.0 51.85 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 121.393 -0.817 . . . . 1.0 111.021 -165.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.5 t -112.17 117.1 54.37 Favored 'Isoleucine or valine' 0 C--N 1.347 0.493 0 C-N-CA 124.738 1.215 . . . . 1.0 107.84 176.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 13.4 tpt -119.78 125.17 47.93 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 120.852 -1.155 . . . . 1.0 109.267 -172.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.98 107.71 16.04 Favored 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 120.384 -1.448 . . . . 1.0 108.639 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.19 -105.68 0.52 Allowed Glycine 0 C--N 1.351 1.385 0 O-C-N 120.577 -1.327 . . . . 1.0 114.217 -172.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.4 8.27 35.73 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.319 1.448 . . . . 1.0 113.266 176.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -119.19 126.41 27.06 Favored Pre-proline 0 C--N 1.349 0.58 0 O-C-N 120.194 -1.566 . . . . 1.0 113.611 -169.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -92.15 119.66 0.5 Allowed 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 121.795 1.663 . . . . 1.0 110.007 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.8 mt -84.85 165.23 17.89 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 124.197 0.999 . . . . 1.0 113.165 -172.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -127.55 126.93 43.06 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 121.194 -0.941 . . . . 1.0 111.288 -175.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.6 ptp -158.44 162.19 37.53 Favored 'General case' 0 N--CA 1.447 -0.583 0 O-C-N 121.517 -0.739 . . . . 1.0 110.27 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.8 157.02 52.43 Favored Glycine 0 C--N 1.352 1.425 0 O-C-N 120.66 -1.275 . . . . 1.0 113.952 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -49.61 -44.65 34.61 Favored 'Trans proline' 0 C--N 1.33 -0.42 0 C-N-CA 124.657 3.571 . . . . 1.0 115.353 170.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 89.8 m -61.67 -40.12 93.83 Favored 'General case' 0 C--N 1.348 0.5 0 C-N-CA 124.511 1.124 . . . . 1.0 112.275 175.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -63.5 -40.84 98.11 Favored 'General case' 0 C--N 1.354 0.788 0 O-C-N 120.31 -1.494 . . . . 1.0 113.072 170.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -60.82 -46.45 90.47 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 121.002 -1.061 . . . . 1.0 112.82 175.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -62.12 -41.17 97.98 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.781 -1.2 . . . . 1.0 112.446 175.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.4 tp -62.45 -45.04 94.89 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 120.704 -1.247 . . . . 1.0 113.341 174.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.8 tp -64.12 -39.6 94.39 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 120.748 -1.22 . . . . 1.0 113.171 174.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -60.14 -43.2 95.9 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.468 -1.395 . . . . 1.0 112.853 172.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -62.62 -43.95 97.52 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.815 -1.178 . . . . 1.0 112.681 172.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -61.58 -44.16 97.54 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 120.176 -1.578 . . . . 1.0 114.811 173.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 96.9 mtp -78.26 -13.14 59.98 Favored 'General case' 0 C--N 1.346 0.418 0 O-C-N 119.396 -2.065 . . . . 1.0 113.733 -178.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.5 p -93.99 -4.55 49.44 Favored 'General case' 0 C--N 1.345 0.389 0 O-C-N 120.388 -1.445 . . . . 1.0 110.767 169.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -144.97 65.4 12.04 Favored Pre-proline 0 C--N 1.353 0.738 0 N-CA-C 114.633 1.346 . . . . 1.0 114.633 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -74.76 149.0 37.25 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 123.1 2.533 . . . . 1.0 112.372 173.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . 0.286 23.5 mt-10 59.95 47.61 9.7 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 128.877 2.871 . . . . 1.0 116.441 176.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.9 mmt180 -137.31 164.6 28.18 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 105.854 -1.906 . . . . 1.0 105.854 168.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.2 t -113.97 133.76 58.95 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 N-CA-C 108.885 -0.783 . . . . 1.0 108.885 -177.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -126.7 129.3 48.15 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 124.485 1.114 . . . . 1.0 108.922 -178.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.9 p -72.21 164.3 26.47 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.988 0.899 . . . . 1.0 111.829 169.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -59.76 -35.83 75.4 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 120.581 -1.324 . . . . 1.0 112.467 174.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 57.8 mp0 -60.86 -42.09 97.17 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 120.496 -1.377 . . . . 1.0 114.365 169.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -72.82 -33.43 66.18 Favored 'General case' 0 C--O 1.275 2.441 0 CA-C-N 121.156 1.798 . . . . 1.0 110.693 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 1.602 ' CA ' ' CB ' ' A' ' 54' ' ' LEU 0.804 21.2 mt -85.73 -16.26 39.52 Favored 'General case' 2 CA--C 1.643 4.523 1 CA-C-O 105.682 -6.866 . . . . 1.0 104.153 -179.718 . . . . . . . . 5 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . 0.278 45.8 mt -74.54 -32.13 62.35 Favored 'General case' 0 N--CA 1.39 -3.429 1 CA-C-N 129.771 5.714 . . . . 1.0 112.774 166.434 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -66.23 -43.06 87.71 Favored 'General case' 0 N--CA 1.425 -1.677 0 N-CA-C 114.128 1.159 . . . . 1.0 114.128 173.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -90.37 -25.16 20.57 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 115.472 1.656 . . . . 1.0 115.472 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 99.4 t -105.78 -62.19 2.22 Favored 'Isoleucine or valine' 0 C--N 1.348 0.539 0 O-C-N 120.868 -1.145 . . . . 1.0 111.169 -173.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 7.5 m-90 -65.98 -42.19 90.17 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 124.194 0.998 . . . . 1.0 112.418 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 110.22 174.49 20.6 Favored Glycine 0 C--N 1.345 1.081 0 CA-C-O 122.889 1.271 . . . . 1.0 112.59 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.0 p -98.32 0.05 44.79 Favored 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 120.833 -1.392 . . . . 1.0 111.813 -168.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -94.51 7.71 44.68 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 125.64 1.576 . . . . 1.0 110.077 172.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.0 t -117.76 136.61 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-O 123.145 1.45 . . . . 1.0 109.662 -171.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -135.7 6.06 3.18 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.053 -1.43 . . . . 1.0 114.007 -155.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.6 m -47.92 168.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 129.021 2.929 . . . . 1.0 117.45 175.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -80.38 170.74 15.98 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.573 -1.33 . . . . 1.0 110.109 173.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -74.74 -19.89 60.05 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 119.592 -1.943 . . . . 1.0 111.464 -171.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.61 -6.31 57.6 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.197 -1.564 . . . . 1.0 114.52 -169.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.3 t -72.81 -18.97 61.41 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 119.85 -1.781 . . . . 1.0 111.36 164.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.3 t -64.66 -48.87 82.91 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 O-C-N 119.737 -1.852 . . . . 1.0 111.625 164.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -58.7 -44.39 90.3 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 120.977 -1.077 . . . . 1.0 112.933 177.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.19 -46.19 96.5 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 C-N-CA 124.728 1.211 . . . . 1.0 112.813 175.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -70.72 -29.41 65.68 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 119.23 -2.168 . . . . 1.0 112.928 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.8 mm -60.93 -42.91 94.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.703 0 O-C-N 120.224 -1.547 . . . . 1.0 112.062 170.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -60.34 -43.84 96.08 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 120.715 -1.241 . . . . 1.0 112.191 170.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 52.5 mtp85 -62.12 -37.84 86.66 Favored 'General case' 0 C--N 1.344 0.348 0 O-C-N 120.639 -1.288 . . . . 1.0 114.172 175.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 37.7 tp -65.6 -45.65 82.35 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 120.611 -1.306 . . . . 1.0 113.285 172.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -59.23 -43.17 92.36 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.042 -1.661 . . . . 1.0 114.101 170.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -59.9 -42.03 92.96 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.718 -1.239 . . . . 1.0 113.194 175.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.15 -38.86 92.59 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 114.971 1.471 . . . . 1.0 114.971 174.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.7 mt -93.29 -3.53 53.4 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 120.454 -1.404 . . . . 1.0 111.212 -174.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -62.47 -47.89 87.87 Favored Pre-proline 0 C--N 1.351 0.655 0 CA-C-O 116.69 -1.624 . . . . 1.0 114.885 174.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -77.87 -15.13 15.15 Favored 'Trans proline' 0 CA--C 1.515 -0.459 0 CA-C-N 124.681 2.708 . . . . 1.0 110.188 176.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.416 ' O ' ' CD2' ' A' ' 86' ' ' HIS . . . -83.91 -0.99 89.88 Favored Glycine 0 C--N 1.345 1.067 0 C-N-CA 125.007 1.289 . . . . 1.0 113.888 172.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.79 25.17 71.71 Favored Glycine 0 C--N 1.352 1.418 0 N-CA-C 116.237 1.255 . . . . 1.0 116.237 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.416 ' CD2' ' O ' ' A' ' 84' ' ' GLY . 95.4 m-70 -134.54 9.29 3.67 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 121.191 -1.182 . . . . 1.0 114.073 -172.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -52.8 -33.76 50.39 Favored 'General case' 0 C--N 1.35 0.594 0 N-CA-C 115.325 1.602 . . . . 1.0 115.325 172.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.4 ptm85 -58.28 -28.16 64.71 Favored 'General case' 0 C--N 1.35 0.591 0 N-CA-C 116.128 1.899 . . . . 1.0 116.128 -177.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 44.8 mtm -71.64 -15.77 62.24 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.493 -1.38 . . . . 1.0 114.723 -174.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.2 t -84.71 108.36 16.7 Favored 'Isoleucine or valine' 0 C--N 1.35 0.596 0 O-C-N 120.986 -1.071 . . . . 1.0 109.272 173.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -104.32 156.72 17.68 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.682 1.193 . . . . 1.0 110.888 -176.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 85.5 m -119.27 132.54 55.92 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 122.4 1.095 . . . . 1.0 109.799 -174.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.0 t -113.61 105.1 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 N-CA-C 107.928 -1.138 . . . . 1.0 107.928 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 43.4 ttt85 -55.67 121.81 9.98 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 125.521 1.528 . . . . 1.0 113.504 -176.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.06 -0.47 79.03 Favored Glycine 0 C--N 1.349 1.266 0 C-N-CA 125.554 1.55 . . . . 1.0 114.577 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 26.2 m -126.54 -46.14 1.61 Allowed 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 118.61 1.205 . . . . 1.0 111.189 -174.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 155.91 -139.89 6.9 Favored Glycine 0 C--N 1.35 1.354 0 O-C-N 119.733 -1.854 . . . . 1.0 113.192 -176.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -134.56 162.83 31.17 Favored 'General case' 0 C--N 1.344 0.35 0 O-C-N 121.584 -0.951 . . . . 1.0 110.352 -172.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 21.8 ttt85 -143.02 149.29 38.08 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 125.395 1.478 . . . . 1.0 108.19 -174.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -120.66 135.36 55.14 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 120.473 -1.392 . . . . 1.0 108.884 176.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.5 t -145.4 125.69 13.88 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.633 -1.292 . . . . 1.0 111.352 -176.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.5 p -64.07 -41.55 97.3 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 124.385 1.074 . . . . 1.0 113.78 177.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.1 ptt85 -94.02 11.47 29.65 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.482 1.113 . . . . 1.0 113.126 -169.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 49.6 t80 . . . . . 0 C--O 1.259 1.588 0 O-C-N 120.812 -1.18 . . . . 1.0 110.725 173.629 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.972 0 O5'-C5'-C4' 114.805 3.289 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.566 -3.444 0 P-O3'-C3' 123.766 3.388 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.574 -2.77 0 P-O5'-C5' 116.793 -2.567 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.567 -3.333 0 P-O5'-C5' 114.953 -3.717 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.565 -3.504 0 OP1-P-OP2 116.636 -1.976 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.151 0 OP1-P-OP2 116.469 -2.087 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.226 0 OP1-P-OP2 116.271 -2.22 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.41 0 O4'-C1'-C2' 103.491 -2.372 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.102 0 OP1-P-OP2 117.151 -1.633 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.116 0 OP1-P-OP2 116.622 -1.986 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.008 0 P-O3'-C3' 123.749 3.374 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.762 0 OP1-P-OP2 115.592 -2.672 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.748 0 OP1-P-OP2 116.015 -2.39 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.526 0 OP1-P-OP2 116.486 -2.076 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.507 0 OP1-P-OP2 116.427 -2.115 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.018 0 OP1-P-OP2 115.69 -2.606 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.861 0 O5'-C5'-C4' 114.645 3.175 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.748 0 OP1-P-OP2 114.911 -3.126 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.32 0 OP1-P-OP2 116.238 -2.241 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.564 -2.908 0 OP1-P-OP2 116.766 -1.89 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.564 -3.555 1 P-O3'-C3' 124.601 4.084 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.572 -2.898 0 O4'-C1'-C2' 103.871 -2.026 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.573 -2.837 0 OP1-P-OP2 115.669 -2.62 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.568 -3.275 0 P-O5'-C5' 116.363 -2.835 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.409 0 P-O3'-C3' 124.058 3.631 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.574 -2.754 0 O4'-C1'-C2' 102.168 -3.575 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.559 -3.984 0 P-O3'-C3' 123.557 3.214 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.566 -3.413 0 P-O3'-C3' 123.705 3.338 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.572 -2.934 0 OP1-P-OP2 116.676 -1.949 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.703 0 P-O3'-C3' 123.546 3.205 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.707 0 OP1-P-OP2 116.541 -2.039 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.032 0 O4'-C1'-C2' 102.722 -3.071 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.5 mtm . . . . . 0 N--CA 1.493 1.688 0 N-CA-C 112.076 0.399 . . . . 1.0 112.076 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 57.94 40.02 26.07 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 125.963 1.705 . . . . 1.0 114.667 176.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.4 p -100.17 -8.41 9.05 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 C-N-CA 124.925 1.29 . . . . 1.0 110.134 -175.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -157.97 166.49 32.45 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 106.941 -1.503 . . . . 1.0 106.941 168.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -85.46 -32.95 22.01 Favored 'General case' 0 CA--C 1.515 -0.393 0 O-C-N 119.874 -1.766 . . . . 1.0 112.16 -177.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.9 m -63.11 152.21 7.76 Favored 'Isoleucine or valine' 0 C--N 1.346 0.429 0 N-CA-C 115.603 1.705 . . . . 1.0 115.603 178.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 75.5 mt -117.04 121.33 67.53 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 N-CA-C 106.582 -1.636 . . . . 1.0 106.582 162.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -123.86 122.74 38.81 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 125.134 1.374 . . . . 1.0 111.094 -176.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 16.8 ptp -150.62 139.59 20.98 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 121.123 -0.986 . . . . 1.0 110.441 174.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.481 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 21.2 mm100 51.39 38.34 21.53 Favored 'General case' 0 C--N 1.348 0.522 0 C-N-CA 126.559 1.944 . . . . 1.0 116.061 176.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.04 3.59 90.65 Favored Glycine 0 C--N 1.349 1.261 0 O-C-N 120.602 -1.311 . . . . 1.0 114.914 -178.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.8 tp -114.27 128.27 56.28 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 124.722 1.209 . . . . 1.0 108.46 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.6 t -133.0 134.07 43.98 Favored 'General case' 0 CA--C 1.512 -0.492 0 O-C-N 120.736 -1.228 . . . . 1.0 110.702 -175.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 tt -127.76 133.99 49.5 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.434 1.494 . . . . 1.0 109.872 -173.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -116.54 113.25 40.69 Favored Pre-proline 0 C--N 1.348 0.529 0 O-C-N 121.201 -0.937 . . . . 1.0 109.033 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -61.68 -36.09 76.78 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 123.211 2.607 . . . . 1.0 113.728 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.2 m -66.29 -43.43 86.34 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 123.83 0.852 . . . . 1.0 112.856 -173.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.1 p -100.31 -2.6 33.23 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 121.059 -1.026 . . . . 1.0 112.917 -176.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.2 m170 68.66 26.63 6.2 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 126.185 1.794 . . . . 1.0 113.961 175.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -121.08 134.76 55.27 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 121.689 -0.632 . . . . 1.0 112.13 -164.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.8 t -116.54 128.28 73.93 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 C-N-CA 125.332 1.453 . . . . 1.0 109.984 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 96.8 mmm -118.78 140.45 49.93 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.338 1.455 . . . . 1.0 110.651 -175.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.87 106.45 12.07 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 121.211 -0.931 . . . . 1.0 108.63 168.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.91 -121.44 25.07 Favored Glycine 0 C--N 1.348 1.211 0 O-C-N 119.602 -1.937 . . . . 1.0 112.701 -160.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -98.51 3.09 48.14 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 121.285 -1.126 . . . . 1.0 111.779 174.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -85.53 124.62 71.18 Favored Pre-proline 0 C--N 1.35 0.626 0 C-N-CA 124.987 1.315 . . . . 1.0 111.687 -177.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -93.44 122.44 0.45 Allowed 'Trans proline' 0 N--CA 1.458 -0.566 0 CA-C-N 121.802 1.679 . . . . 1.0 111.001 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.4 mt -92.64 165.19 13.1 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.691 0.796 . . . . 1.0 111.298 -175.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -131.1 133.86 46.04 Favored 'General case' 0 C--N 1.345 0.392 0 O-C-N 120.951 -1.093 . . . . 1.0 111.466 -176.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 22.6 ptp -154.16 174.07 15.24 Favored 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 121.134 -0.979 . . . . 1.0 109.895 176.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -86.98 169.1 39.87 Favored Glycine 0 C--N 1.353 1.493 0 O-C-N 120.844 -1.16 . . . . 1.0 111.993 175.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -69.94 -30.41 21.49 Favored 'Trans proline' 0 C--N 1.324 -0.724 0 C-N-CA 122.985 2.457 . . . . 1.0 112.411 -173.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.2 m -67.26 -42.45 83.87 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 119.196 0.907 . . . . 1.0 112.183 172.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.4 -42.56 98.92 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 120.913 -1.117 . . . . 1.0 111.716 172.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -60.44 -46.76 88.88 Favored 'General case' 0 C--N 1.351 0.647 0 C-N-CA 123.974 0.91 . . . . 1.0 113.32 175.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -64.29 -40.1 95.26 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 120.291 -1.505 . . . . 1.0 113.332 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.8 tp -63.48 -44.64 93.82 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 124.817 1.247 . . . . 1.0 112.972 171.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.4 tp -62.54 -40.16 95.89 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 120.876 -1.14 . . . . 1.0 112.643 175.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -58.17 -40.74 82.22 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 120.431 -1.418 . . . . 1.0 112.838 172.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -64.99 -43.05 93.84 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.783 -1.198 . . . . 1.0 113.262 172.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -62.89 -43.17 99.52 Favored 'General case' 0 C--N 1.347 0.491 0 O-C-N 120.43 -1.418 . . . . 1.0 114.584 173.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 62.5 mmm -61.55 -32.31 72.37 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 120.503 -1.373 . . . . 1.0 113.407 177.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.5 p -87.41 -3.47 59.02 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 120.247 -1.533 . . . . 1.0 113.067 173.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 65.2 m80 -140.44 64.87 25.42 Favored Pre-proline 0 C--N 1.354 0.772 0 O-C-N 120.221 -1.549 . . . . 1.0 114.332 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -75.75 156.88 39.77 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.965 2.443 . . . . 1.0 112.887 176.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.406 ' CD ' HH21 ' A' ' 99' ' ' ARG . 5.9 mm-40 62.34 39.55 12.12 Favored 'General case' 0 C--N 1.348 0.537 0 C-N-CA 126.586 1.955 . . . . 1.0 115.115 169.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -151.75 146.03 25.44 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.053 -1.091 . . . . 1.0 108.053 177.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.9 t -92.14 133.33 33.91 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 O-C-N 120.381 -1.45 . . . . 1.0 111.279 -172.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -123.8 127.77 48.57 Favored 'General case' 0 CA--C 1.507 -0.687 0 C-N-CA 125.082 1.353 . . . . 1.0 107.886 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 86.0 p -72.3 162.88 28.85 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 122.075 0.94 . . . . 1.0 111.01 171.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 74.8 mtt85 -60.14 -35.97 76.49 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 120.628 -1.295 . . . . 1.0 111.623 175.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -60.02 -43.57 95.16 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 114.354 1.242 . . . . 1.0 114.354 171.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -64.86 -43.75 91.99 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 119.986 -1.697 . . . . 1.0 111.822 175.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.01 -42.61 99.34 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.94 -1.1 . . . . 1.0 113.441 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.1 mt -61.73 -47.97 82.84 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 120.214 -1.554 . . . . 1.0 114.613 176.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -68.98 -40.91 78.52 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 120.693 -1.254 . . . . 1.0 113.79 177.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -67.82 -42.19 81.89 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 115.56 1.689 . . . . 1.0 115.56 174.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.3 t -99.86 -60.54 2.73 Favored 'Isoleucine or valine' 0 C--N 1.35 0.609 0 O-C-N 120.079 -1.638 . . . . 1.0 111.792 -170.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 8.4 m-90 -67.55 -43.04 81.67 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 121.012 -1.055 . . . . 1.0 112.147 -177.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 130.91 158.76 9.35 Favored Glycine 0 C--N 1.345 1.067 0 CA-C-O 122.928 1.293 . . . . 1.0 113.264 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 36.8 p -82.65 -20.17 36.8 Favored 'General case' 0 CA--C 1.515 -0.368 0 O-C-N 120.778 -1.424 . . . . 1.0 114.152 -172.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -115.46 15.19 16.76 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-O 122.532 1.158 . . . . 1.0 110.099 178.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.8 t -92.85 142.71 12.77 Favored 'Isoleucine or valine' 0 C--N 1.345 0.387 0 C-N-CA 124.895 1.278 . . . . 1.0 109.086 174.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -127.3 119.21 25.78 Favored 'General case' 0 C--N 1.342 0.273 0 O-C-N 120.726 -1.234 . . . . 1.0 111.907 -172.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.7 m -153.31 166.04 1.45 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.466 0 C-N-CA 126.007 1.723 . . . . 1.0 106.613 175.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -68.43 155.81 39.13 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 124.28 1.032 . . . . 1.0 112.171 173.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -57.84 -31.71 66.92 Favored 'General case' 0 C--N 1.346 0.44 0 C-N-CA 125.006 1.322 . . . . 1.0 111.785 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -89.48 5.96 43.05 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.656 1.182 . . . . 1.0 113.472 -174.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.4 m -74.85 -21.22 59.39 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 119.676 -1.89 . . . . 1.0 110.648 165.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.4 t -64.31 -47.27 90.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 O-C-N 120.194 -1.566 . . . . 1.0 112.189 167.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.2 -43.82 87.8 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 125.981 1.712 . . . . 1.0 113.256 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.81 -42.63 96.52 Favored 'Isoleucine or valine' 0 C--N 1.349 0.548 0 C-N-CA 124.59 1.156 . . . . 1.0 112.447 173.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -69.62 -31.81 70.15 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 119.249 -2.157 . . . . 1.0 113.922 174.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.1 mm -61.8 -42.76 95.72 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 O-C-N 120.676 -1.265 . . . . 1.0 111.928 169.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -60.08 -45.94 91.21 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 121.007 -1.058 . . . . 1.0 112.515 171.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -62.12 -41.56 98.35 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 120.784 -1.197 . . . . 1.0 113.401 174.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.2 tp -62.88 -44.15 96.87 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 120.371 -1.456 . . . . 1.0 113.831 174.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -61.37 -44.19 97.58 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 119.971 -1.706 . . . . 1.0 113.314 171.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -60.76 -40.85 94.01 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 120.942 -1.099 . . . . 1.0 113.176 175.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.92 94.08 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 114.91 1.448 . . . . 1.0 114.91 174.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.0 mt -96.74 -6.35 36.49 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 120.644 -1.285 . . . . 1.0 112.349 -172.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -63.81 -43.66 77.01 Favored Pre-proline 0 C--N 1.351 0.652 0 N-CA-C 114.922 1.453 . . . . 1.0 114.922 174.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -60.19 -26.22 82.0 Favored 'Trans proline' 0 CA--C 1.516 -0.416 0 CA-C-N 124.158 2.521 . . . . 1.0 114.212 170.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -90.78 -0.24 75.54 Favored Glycine 0 C--N 1.348 1.204 0 C-N-CA 124.592 1.091 . . . . 1.0 113.971 174.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.95 28.27 73.73 Favored Glycine 0 C--N 1.347 1.163 0 N-CA-C 117.235 1.654 . . . . 1.0 117.235 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.481 ' CE1' ' O ' ' A' ' 10' ' ' GLN . 99.1 m-70 -130.31 17.41 5.46 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 121.242 -1.152 . . . . 1.0 113.621 -176.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -55.12 -40.45 70.52 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 126.78 2.032 . . . . 1.0 114.51 169.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -71.74 -14.74 62.1 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 126.979 2.112 . . . . 1.0 114.388 -170.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 79.4 mtp -62.05 -34.93 77.17 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 120.508 -1.37 . . . . 1.0 112.694 169.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.7 t -74.77 105.65 3.97 Favored 'Isoleucine or valine' 0 C--N 1.351 0.671 0 C-N-CA 124.049 0.94 . . . . 1.0 110.56 174.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -113.7 156.01 24.53 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 126.142 1.777 . . . . 1.0 110.791 -171.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 53.4 m -118.56 132.64 56.2 Favored 'General case' 0 CA--C 1.51 -0.576 0 O-C-N 121.233 -0.917 . . . . 1.0 111.159 -169.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 92.6 t -117.22 112.76 40.41 Favored 'Isoleucine or valine' 0 C--N 1.348 0.519 0 C-N-CA 125.055 1.342 . . . . 1.0 108.55 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.6 ttt85 -60.4 121.06 11.12 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 120.642 -1.286 . . . . 1.0 113.44 -175.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.65 -3.47 78.71 Favored Glycine 0 C--N 1.347 1.166 0 C-N-CA 125.199 1.381 . . . . 1.0 114.653 172.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 53.2 m -126.42 -33.78 2.54 Favored 'General case' 0 CA--C 1.515 -0.382 0 O-C-N 121.029 -1.277 . . . . 1.0 110.521 -178.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 147.84 -137.28 6.44 Favored Glycine 0 C--N 1.355 1.614 0 O-C-N 119.632 -1.917 . . . . 1.0 114.553 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -133.7 162.49 31.81 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 121.702 -0.881 . . . . 1.0 110.264 -172.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.406 HH21 ' CD ' ' A' ' 46' ' ' GLU . 57.5 ttt180 -143.41 142.94 31.42 Favored 'General case' 0 C--N 1.347 0.472 0 C-N-CA 124.953 1.301 . . . . 1.0 107.645 -174.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -113.29 124.82 53.39 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 107.098 -1.445 . . . . 1.0 107.098 176.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.7 t -126.38 132.68 51.49 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 120.613 -1.304 . . . . 1.0 113.324 -165.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.7 p -93.51 11.57 28.15 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 126.557 1.943 . . . . 1.0 112.06 -175.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -78.53 -21.48 48.75 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 120.47 -1.394 . . . . 1.0 113.312 177.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 . . . . . 0 C--O 1.262 1.746 0 CA-C-O 117.325 -1.321 . . . . 1.0 114.159 -165.592 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.536 0 O5'-C5'-C4' 114.224 2.874 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.101 0 OP1-P-OP2 115.524 -2.717 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.566 -2.735 0 OP1-P-OP2 116.722 -1.919 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.568 -3.236 0 C5'-C4'-C3' 119.606 3.27 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.569 -3.192 0 P-O5'-C5' 115.698 -3.251 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.565 -3.48 1 P-O3'-C3' 126.807 5.922 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.569 -3.175 0 OP1-P-OP2 116.636 -1.976 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.573 -2.797 0 OP1-P-OP2 116.508 -2.062 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.417 0 OP1-P-OP2 115.662 -2.626 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.348 0 OP1-P-OP2 115.989 -2.407 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.562 -3.768 0 P-O3'-C3' 122.79 2.575 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.571 -3.037 0 O4'-C1'-C2' 103.342 -2.507 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.455 0 P-O3'-C3' 123.395 3.079 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.665 0 OP1-P-OP2 115.507 -2.728 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.985 0 OP1-P-OP2 116.278 -2.214 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.959 0 O5'-C5'-C4' 113.452 2.323 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.695 0 O5'-C5'-C4' 114.142 2.816 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.772 0 P-O5'-C5' 117.091 -2.381 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.558 -4.066 0 P-O3'-C3' 124.315 3.846 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.584 0 OP1-P-OP2 116.823 -1.851 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.711 1 P-O3'-C3' 124.523 4.019 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.112 0 O4'-C1'-C2' 102.517 -3.258 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.297 0 OP1-P-OP2 116.373 -2.151 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.773 0 P-O5'-C5' 115.464 -3.398 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.466 0 P-O3'-C3' 124.121 3.684 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.032 0 O4'-C1'-C2' 102.989 -2.828 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.452 0 P-O3'-C3' 123.024 2.77 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.287 0 OP1-P-OP2 115.809 -2.527 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.57 -3.061 0 OP1-P-OP2 115.248 -2.901 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.25 0 P-O3'-C3' 122.722 2.519 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.311 0 OP1-P-OP2 116.837 -1.842 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.167 0 OP1-P-OP2 115.849 -2.501 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.7 tpp . . . . . 0 N--CA 1.482 1.154 0 CA-C-O 119.226 -0.416 . . . . 1.0 111.538 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.21 17.72 1.73 Allowed 'General case' 0 C--N 1.354 0.768 0 O-C-N 120.217 -1.552 . . . . 1.0 114.297 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.2 p -124.37 -16.3 4.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 O-C-N 120.367 -1.458 . . . . 1.0 110.775 173.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.52 9.5 7.15 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 125.931 1.692 . . . . 1.0 110.572 -178.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -152.34 122.01 6.92 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 124.021 0.929 . . . . 1.0 110.22 -170.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.5 p -35.49 133.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.605 0 C-N-CA 128.6 2.76 . . . . 1.0 117.802 175.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.1 mt -107.35 118.21 54.64 Favored 'Isoleucine or valine' 0 C--N 1.345 0.38 0 N-CA-C 106.873 -1.529 . . . . 1.0 106.873 176.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -123.24 113.52 19.03 Favored 'General case' 0 C--N 1.345 0.404 0 O-C-N 121.301 -0.875 . . . . 1.0 109.423 -175.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 19.4 ptt? -158.67 148.05 19.12 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 121.169 -0.957 . . . . 1.0 110.997 174.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.449 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 24.6 mm100 57.28 35.8 26.54 Favored 'General case' 0 C--N 1.347 0.457 0 C-N-CA 126.915 2.086 . . . . 1.0 114.628 -178.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.72 6.17 88.4 Favored Glycine 0 C--N 1.349 1.268 0 O-C-N 120.556 -1.34 . . . . 1.0 114.375 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.0 tp -120.34 129.9 54.19 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 125.082 1.353 . . . . 1.0 109.025 -175.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 93.9 p -124.18 130.67 52.94 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 120.785 -1.197 . . . . 1.0 111.913 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 tt -126.78 125.62 42.02 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 120.853 -1.154 . . . . 1.0 109.885 -176.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -108.79 109.06 61.18 Favored Pre-proline 0 C--O 1.237 0.439 0 C-N-CA 124.699 1.2 . . . . 1.0 109.434 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -67.47 -25.83 41.17 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.78 2.32 . . . . 1.0 113.968 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.9 m -63.38 -45.81 89.39 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 124.23 1.012 . . . . 1.0 112.645 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.2 p -107.45 -4.6 18.32 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 120.872 -1.143 . . . . 1.0 114.004 -178.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.3 m170 64.04 44.67 4.51 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 125.731 1.612 . . . . 1.0 113.523 -172.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -111.41 130.02 55.83 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 120.932 -1.105 . . . . 1.0 111.012 -175.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.8 t -119.51 131.93 70.73 Favored 'Isoleucine or valine' 0 C--N 1.349 0.576 0 N-CA-C 108.445 -0.946 . . . . 1.0 108.445 176.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 70.8 mtp -130.77 150.38 51.98 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 120.642 -1.286 . . . . 1.0 110.693 175.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.24 108.87 17.86 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 105.969 -1.863 . . . . 1.0 105.969 168.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 55.95 -116.74 7.66 Favored Glycine 0 C--N 1.348 1.244 0 O-C-N 120.703 -1.248 . . . . 1.0 113.69 -164.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -105.38 19.43 20.6 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 123.864 0.866 . . . . 1.0 112.292 174.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -109.24 117.59 52.93 Favored Pre-proline 0 C--N 1.351 0.64 0 O-C-N 120.528 -1.358 . . . . 1.0 110.607 177.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.7 144.85 22.49 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.991 2.46 . . . . 1.0 112.963 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.2 mp -96.49 159.93 14.68 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 124.639 1.176 . . . . 1.0 111.414 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -123.96 119.48 29.69 Favored 'General case' 0 C--N 1.346 0.413 0 C-N-CA 125.425 1.49 . . . . 1.0 108.633 177.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.0 ptp -155.79 159.19 39.22 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 120.415 -1.428 . . . . 1.0 112.146 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.82 158.01 47.73 Favored Glycine 0 C--N 1.35 1.352 0 O-C-N 120.883 -1.136 . . . . 1.0 114.78 175.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -68.63 -30.73 27.79 Favored 'Trans proline' 0 C--N 1.323 -0.785 0 C-N-CA 123.318 2.679 . . . . 1.0 112.88 -177.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.1 m -67.29 -38.26 84.74 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-O 122.016 0.913 . . . . 1.0 110.954 173.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -41.9 95.2 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 125.125 1.37 . . . . 1.0 111.653 174.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -59.69 -46.35 89.35 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 121.104 -0.998 . . . . 1.0 112.699 173.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -62.45 -40.84 97.92 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 120.911 -1.118 . . . . 1.0 113.221 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.6 tp -65.17 -44.54 88.18 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 114.199 1.185 . . . . 1.0 114.199 170.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.4 tp -62.7 -41.55 99.18 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.364 -1.46 . . . . 1.0 113.049 177.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -59.34 -41.39 89.06 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 121.036 -1.04 . . . . 1.0 112.427 172.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -63.35 -45.9 89.08 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 121.131 -0.981 . . . . 1.0 113.082 175.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -63.89 -44.86 91.74 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 114.551 1.315 . . . . 1.0 114.551 175.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 92.6 mtp -64.67 -34.87 79.32 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.28 -1.513 . . . . 1.0 113.895 177.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.8 p -75.37 -16.73 60.35 Favored 'General case' 0 C--N 1.345 0.395 0 O-C-N 120.494 -1.379 . . . . 1.0 112.941 172.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -134.29 67.65 72.8 Favored Pre-proline 0 C--N 1.353 0.728 0 O-C-N 120.69 -1.256 . . . . 1.0 114.217 -178.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -79.05 160.47 26.86 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 123.276 2.651 . . . . 1.0 112.133 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 61.22 42.57 11.94 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 127.652 2.381 . . . . 1.0 113.203 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -148.88 134.3 18.52 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 120.886 -1.134 . . . . 1.0 110.233 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 20.0 t -85.95 130.38 36.56 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 O-C-N 120.634 -1.291 . . . . 1.0 110.554 176.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -121.37 127.02 50.81 Favored 'General case' 0 CA--C 1.502 -0.887 0 C-N-CA 125.631 1.572 . . . . 1.0 107.584 176.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.5 p -75.08 164.43 26.53 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 121.928 0.871 . . . . 1.0 111.739 172.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.6 mtt85 -60.74 -34.69 74.8 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 120.45 -1.406 . . . . 1.0 111.906 177.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -57.89 -45.0 87.05 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 114.147 1.165 . . . . 1.0 114.147 169.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -65.97 -42.59 89.69 Favored 'General case' 0 C--N 1.359 0.991 0 O-C-N 120.108 -1.62 . . . . 1.0 112.881 174.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.88 -39.99 93.83 Favored 'General case' 0 C--N 1.347 0.491 0 O-C-N 121.02 -1.05 . . . . 1.0 112.918 176.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.8 mt -59.53 -41.06 89.16 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.702 -1.249 . . . . 1.0 114.11 172.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -67.05 -48.34 68.57 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 120.081 -1.637 . . . . 1.0 113.106 170.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -68.35 -44.34 75.48 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 115.914 1.82 . . . . 1.0 115.914 -176.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.6 t -102.49 -36.37 4.39 Favored 'Isoleucine or valine' 0 C--N 1.347 0.473 0 O-C-N 121.142 -0.974 . . . . 1.0 111.703 -170.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 20.8 m-90 -98.22 -11.23 22.91 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 119.984 -1.698 . . . . 1.0 111.496 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.7 1.55 73.77 Favored Glycine 0 C--N 1.342 0.893 0 O-C-N 120.223 -1.548 . . . . 1.0 115.898 165.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . 0.346 0.5 OUTLIER 63.3 -24.73 0.06 Allowed 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 128.331 2.652 . . . . 1.0 117.018 -178.168 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -66.44 -42.27 87.9 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 119.26 -2.15 . . . . 1.0 111.262 168.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.4 t -61.14 136.43 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 C-N-CA 124.92 1.288 . . . . 1.0 111.782 171.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -118.45 120.26 37.03 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 123.156 1.455 . . . . 1.0 111.223 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.5 m -151.0 154.23 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 C-N-CA 126.343 1.857 . . . . 1.0 108.057 -177.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -62.67 151.19 38.9 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 124.935 1.294 . . . . 1.0 111.826 170.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -65.64 -17.55 64.68 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 120.321 -1.487 . . . . 1.0 113.505 -171.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -95.17 6.82 47.99 Favored 'General case' 0 N--CA 1.443 -0.79 0 O-C-N 120.674 -1.266 . . . . 1.0 114.031 -175.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 t -75.59 -18.75 59.63 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 119.312 -2.118 . . . . 1.0 111.008 162.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.6 t -62.27 -48.4 88.57 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 0 O-C-N 120.021 -1.675 . . . . 1.0 111.838 169.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.12 -44.07 87.53 Favored 'General case' 0 C--N 1.35 0.616 0 C-N-CA 126.018 1.727 . . . . 1.0 113.306 177.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 52.9 t -63.94 -44.39 97.95 Favored 'Isoleucine or valine' 0 C--N 1.346 0.424 0 C-N-CA 125.589 1.556 . . . . 1.0 112.42 175.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -66.91 -36.76 83.0 Favored 'General case' 0 C--N 1.344 0.356 0 O-C-N 119.868 -1.77 . . . . 1.0 113.683 175.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.6 mm -59.29 -41.45 84.14 Favored 'Isoleucine or valine' 0 C--N 1.348 0.523 0 O-C-N 120.621 -1.3 . . . . 1.0 112.071 170.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -43.62 95.89 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 120.258 -1.526 . . . . 1.0 113.279 172.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.8 -38.71 92.1 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 124.965 1.306 . . . . 1.0 113.47 175.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.5 tp -61.93 -42.74 99.45 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 124.844 1.258 . . . . 1.0 113.361 173.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -57.25 -45.74 83.69 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 120.311 -1.493 . . . . 1.0 114.156 170.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -61.66 -39.1 90.17 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.578 -1.326 . . . . 1.0 113.454 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.28 -38.82 88.14 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 114.52 1.304 . . . . 1.0 114.52 173.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 77.1 mt -94.97 -4.52 46.54 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 120.884 -1.135 . . . . 1.0 112.792 -174.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -63.16 -41.78 71.75 Favored Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 116.663 2.097 . . . . 1.0 116.663 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -56.79 -40.15 86.3 Favored 'Trans proline' 0 C--N 1.343 0.24 0 CA-C-N 124.907 2.788 . . . . 1.0 115.096 175.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -83.18 -2.6 90.46 Favored Glycine 0 C--N 1.348 1.204 0 N-CA-C 114.684 0.633 . . . . 1.0 114.684 174.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.17 10.2 86.31 Favored Glycine 0 C--N 1.35 1.311 0 O-C-N 120.838 -1.389 . . . . 1.0 115.229 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.449 ' CE1' ' O ' ' A' ' 10' ' ' GLN . 85.9 m-70 -96.58 0.19 49.65 Favored 'General case' 0 C--N 1.344 0.327 0 O-C-N 120.493 -1.592 . . . . 1.0 113.49 -170.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -57.72 -34.4 69.43 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 127.054 2.142 . . . . 1.0 115.048 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -88.86 4.49 47.63 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 124.912 1.285 . . . . 1.0 113.148 -166.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 52.8 mtm -89.32 -3.68 58.39 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 121.138 -0.976 . . . . 1.0 111.967 172.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.4 t -83.32 120.43 34.53 Favored 'Isoleucine or valine' 0 C--N 1.35 0.601 0 N-CA-C 108.132 -1.062 . . . . 1.0 108.132 168.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -108.78 148.16 30.96 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 124.651 1.18 . . . . 1.0 109.452 -174.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 49.7 m -119.53 123.96 45.26 Favored 'General case' 0 CA--C 1.498 -1.037 0 O-C-N 121.302 -0.874 . . . . 1.0 110.791 -173.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.7 t -108.47 108.46 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 C-N-CA 123.93 0.892 . . . . 1.0 108.85 -175.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 48.0 ttm-85 -64.34 120.1 11.57 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-O 122.312 1.053 . . . . 1.0 113.406 -172.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 84.67 2.88 88.59 Favored Glycine 0 CA--C 1.497 -1.051 0 O-C-N 120.801 -1.187 . . . . 1.0 113.795 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.0 m -127.21 -57.3 1.31 Allowed 'General case' 0 CA--C 1.505 -0.775 0 O-C-N 121.563 -0.963 . . . . 1.0 109.599 -176.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 159.36 -137.51 5.17 Favored Glycine 0 C--N 1.349 1.279 0 O-C-N 120.531 -1.356 . . . . 1.0 112.559 -173.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -136.27 161.95 34.33 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.615 0.722 . . . . 1.0 110.432 -170.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 47.3 ttt-85 -150.88 151.66 32.54 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 107.68 -1.23 . . . . 1.0 107.68 -169.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -127.67 147.39 50.38 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.058 -1.651 . . . . 1.0 108.83 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.7 t -149.52 147.42 28.17 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 119.971 -1.706 . . . . 1.0 112.363 178.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.8 p -99.5 6.28 45.93 Favored 'General case' 0 C--N 1.345 0.404 0 C-N-CA 125.126 1.371 . . . . 1.0 111.373 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -62.07 -34.8 76.95 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 115.894 1.813 . . . . 1.0 115.894 -176.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 . . . . . 0 C--O 1.263 1.775 0 C-N-CA 127.085 2.154 . . . . 1.0 115.885 -170.502 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.683 0 O5'-C5'-C4' 114.461 3.043 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.088 0 OP1-P-OP2 115.987 -2.409 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.657 0 P-O5'-C5' 116.708 -2.62 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.568 -3.288 0 P-O5'-C5' 116.124 -2.985 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.561 -3.854 0 P-O3'-C3' 123.905 3.504 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.969 0 O4'-C1'-C2' 103.719 -2.164 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.229 0 OP1-P-OP2 116.003 -2.398 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.381 0 O4'-C1'-C2' 102.054 -3.678 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.179 0 OP1-P-OP2 116.767 -1.889 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.563 -3.676 0 P-O5'-C5' 115.77 -3.206 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.386 0 OP1-P-OP2 116.069 -2.354 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.583 0 P-O5'-C5' 116.14 -2.975 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.91 0 P-O3'-C3' 123.249 2.958 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.599 0 O5'-C5'-C4' 115.026 3.447 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.824 0 OP1-P-OP2 116.384 -2.144 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.407 0 OP1-P-OP2 115.801 -2.532 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.907 0 O5'-C5'-C4' 114.625 3.161 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.56 -3.917 1 P-O3'-C3' 125.367 4.722 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.872 0 OP1-P-OP2 115.603 -2.665 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.169 0 O5'-C5'-C4' 114.066 2.761 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.78 0 OP1-P-OP2 115.799 -2.534 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.258 0 O4'-C1'-C2' 103.552 -2.316 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.756 0 OP1-P-OP2 117.112 -1.659 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.566 -3.393 0 P-O5'-C5' 116.073 -3.017 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.338 0 P-O3'-C3' 123.346 3.038 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.836 0 O4'-C1'-C2' 102.905 -2.905 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.628 0 P-O5'-C5' 116.264 -2.897 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.559 0 P-O3'-C3' 124.009 3.591 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.574 -2.733 0 P-O5'-C5' 115.75 -3.219 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.556 -4.262 1 P-O3'-C3' 125.141 4.534 . . . . 1.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.479 0 OP1-P-OP2 115.479 -2.748 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.332 0 C4'-C3'-O3' 115.784 2.493 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 113.534 0.938 . . . . 1.0 113.534 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.54 -42.94 98.37 Favored 'General case' 0 C--N 1.351 0.655 0 O-C-N 120.543 -1.348 . . . . 1.0 114.143 173.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . 0.257 2.1 t 55.32 53.58 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.72 0 C-N-CA 127.852 2.461 . . . . 1.0 112.149 -179.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -108.87 -11.63 14.99 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 113.14 0.793 . . . . 1.0 113.14 -168.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 54.0 mp0 -68.84 -43.48 75.41 Favored 'General case' 0 N--CA 1.449 -0.489 0 O-C-N 120.619 -1.3 . . . . 1.0 113.525 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 32.7 m -120.22 144.86 27.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 105.786 -1.931 . . . . 1.0 105.786 174.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.2 mt -104.05 110.61 30.81 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.454 0 O-C-N 120.015 -1.678 . . . . 1.0 107.972 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -116.27 125.15 51.79 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 121.639 0.733 . . . . 1.0 111.823 -176.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 13.2 ptp -157.83 145.69 18.68 Favored 'General case' 0 C--N 1.347 0.465 0 C-N-CA 124.051 0.94 . . . . 1.0 109.27 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 tm0? 59.51 28.08 17.39 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 120.207 -1.558 . . . . 1.0 114.631 171.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.16 6.12 87.49 Favored Glycine 0 C--N 1.352 1.456 0 O-C-N 119.28 -2.137 . . . . 1.0 114.933 -174.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.5 tp -117.54 137.08 52.81 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.789 1.636 . . . . 1.0 108.522 -176.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.4 t -137.07 131.86 33.35 Favored 'General case' 0 C--N 1.347 0.463 0 O-C-N 120.358 -1.464 . . . . 1.0 111.328 -178.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 tt -124.71 131.22 53.48 Favored 'General case' 0 C--N 1.345 0.39 0 C-N-CA 124.561 1.144 . . . . 1.0 110.401 -174.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -108.95 112.6 60.02 Favored Pre-proline 0 C--O 1.237 0.438 0 O-C-N 120.664 -1.273 . . . . 1.0 107.705 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -67.01 -32.54 34.67 Favored 'Trans proline' 0 CA--C 1.513 -0.533 0 C-N-CA 122.691 2.26 . . . . 1.0 113.618 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 64.6 m -68.47 -41.81 79.61 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.887 1.275 . . . . 1.0 111.311 -176.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.5 m -96.54 -4.33 41.53 Favored 'General case' 0 CA--C 1.508 -0.663 0 O-C-N 121.68 -0.637 . . . . 1.0 112.175 -176.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.9 m170 61.21 31.47 19.52 Favored 'General case' 0 C--N 1.35 0.593 0 C-N-CA 125.388 1.475 . . . . 1.0 113.499 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -122.11 135.92 54.85 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 120.96 -1.088 . . . . 1.0 112.88 -165.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 44.3 t -117.24 128.05 74.65 Favored 'Isoleucine or valine' 0 C--N 1.348 0.518 0 C-N-CA 124.263 1.025 . . . . 1.0 109.458 -178.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 89.7 mmm -114.68 135.15 54.47 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 125.891 1.677 . . . . 1.0 108.59 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.12 112.47 19.57 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 107.522 -1.288 . . . . 1.0 107.522 173.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.7 -111.11 3.22 Favored Glycine 0 C--N 1.347 1.178 0 O-C-N 120.585 -1.322 . . . . 1.0 113.32 -167.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -106.84 9.09 31.01 Favored 'General case' 0 C--N 1.347 0.457 0 C-N-CA 123.855 0.862 . . . . 1.0 112.528 175.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -114.06 128.42 25.8 Favored Pre-proline 0 C--N 1.351 0.655 0 O-C-N 120.756 -1.215 . . . . 1.0 112.105 -169.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -75.07 139.42 24.09 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 CA-C-N 123.156 2.163 . . . . 1.0 111.649 170.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.4 mt -121.27 155.55 34.42 Favored 'General case' 0 C--N 1.346 0.44 0 CA-C-O 121.84 0.829 . . . . 1.0 109.655 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -116.77 144.15 44.82 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 122.4 1.095 . . . . 1.0 112.875 -171.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -158.26 164.23 36.65 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.095 1.358 . . . . 1.0 107.588 174.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.36 174.47 54.43 Favored Glycine 0 C--N 1.35 1.323 0 O-C-N 121.147 -0.97 . . . . 1.0 113.621 174.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -73.7 -33.02 6.97 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 121.933 1.755 . . . . 1.0 112.907 -168.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 77.4 m -61.32 -42.32 98.48 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 120.388 1.449 . . . . 1.0 111.988 172.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -63.71 -42.04 98.0 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 120.809 -1.182 . . . . 1.0 112.435 172.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -61.27 -45.91 92.54 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.964 -1.085 . . . . 1.0 113.551 175.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -62.29 -42.1 99.06 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 120.213 -1.554 . . . . 1.0 112.946 176.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.2 tp -63.3 -43.11 98.8 Favored 'General case' 0 C--N 1.347 0.497 0 O-C-N 121.226 -0.921 . . . . 1.0 112.811 174.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.8 tp -63.34 -41.63 98.89 Favored 'General case' 0 C--N 1.346 0.453 0 O-C-N 120.785 -1.197 . . . . 1.0 113.685 174.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -59.78 -41.83 92.01 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 120.418 -1.426 . . . . 1.0 112.604 172.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -62.51 -45.95 90.65 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.964 -1.085 . . . . 1.0 112.682 173.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -63.27 -43.31 98.32 Favored 'General case' 0 C--N 1.347 0.471 0 N-CA-C 114.945 1.461 . . . . 1.0 114.945 174.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 95.0 mtp -74.76 -16.11 60.74 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 119.536 -1.978 . . . . 1.0 113.428 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.1 p -94.46 -0.22 54.89 Favored 'General case' 0 C--N 1.346 0.426 0 O-C-N 120.658 -1.276 . . . . 1.0 110.674 170.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -144.67 64.42 11.65 Favored Pre-proline 0 C--N 1.35 0.604 0 O-C-N 120.317 -1.489 . . . . 1.0 114.424 175.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.37 154.96 56.06 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.794 2.329 . . . . 1.0 113.228 173.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 62.72 39.71 10.78 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 127.926 2.49 . . . . 1.0 114.726 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -147.33 131.63 17.5 Favored 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 120.669 -1.269 . . . . 1.0 110.119 177.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.5 t -77.48 133.56 30.38 Favored 'Isoleucine or valine' 0 C--N 1.348 0.538 0 O-C-N 120.926 -1.109 . . . . 1.0 111.974 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -125.41 128.13 47.63 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 107.847 -1.168 . . . . 1.0 107.847 173.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 92.3 p -69.97 164.75 23.22 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 122.371 1.081 . . . . 1.0 112.595 170.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 73.2 mtt85 -59.84 -36.86 77.72 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 120.755 -1.216 . . . . 1.0 112.594 176.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -58.81 -44.58 90.85 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.929 -1.107 . . . . 1.0 113.904 169.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -67.66 -41.73 83.32 Favored 'General case' 0 C--N 1.359 1.005 0 O-C-N 120.444 -1.41 . . . . 1.0 112.452 177.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 97.0 mt -61.14 -41.84 97.46 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 120.858 -1.151 . . . . 1.0 113.055 174.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.4 mt -60.61 -47.01 88.12 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.735 -1.228 . . . . 1.0 113.456 171.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -65.7 -44.62 85.6 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 121.048 -1.032 . . . . 1.0 113.01 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -67.76 -44.28 77.88 Favored 'General case' 0 C--N 1.349 0.578 0 N-CA-C 114.907 1.447 . . . . 1.0 114.907 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 81.4 t -99.07 -63.0 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.682 0 O-C-N 120.548 -1.345 . . . . 1.0 111.766 -168.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 13.5 m-90 -67.39 -41.54 84.83 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 124.622 1.169 . . . . 1.0 112.74 -178.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.25 -169.43 13.64 Favored Glycine 0 C--N 1.348 1.235 0 CA-C-O 122.655 1.142 . . . . 1.0 114.21 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.8 p -102.65 -22.65 13.93 Favored 'General case' 0 C--N 1.344 0.351 0 O-C-N 121.122 -1.222 . . . . 1.0 111.794 -172.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -103.74 27.41 7.53 Favored 'General case' 0 C--N 1.346 0.426 0 O-C-N 120.128 -1.608 . . . . 1.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.2 t -116.46 137.37 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 C-N-CA 125.21 1.404 . . . . 1.0 108.129 177.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -124.26 9.17 8.55 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 122.891 1.329 . . . . 1.0 114.401 -152.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.2 m -57.82 148.83 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 127.388 2.275 . . . . 1.0 115.217 177.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -55.91 162.7 1.73 Allowed 'General case' 0 C--N 1.348 0.507 0 C-N-CA 126.186 1.794 . . . . 1.0 113.503 166.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -61.89 -32.12 72.47 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 119.936 -1.727 . . . . 1.0 112.525 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -95.03 8.56 42.53 Favored 'General case' 0 N--CA 1.443 -0.822 0 O-C-N 120.668 -1.27 . . . . 1.0 113.797 -160.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.9 t -75.77 -21.87 56.99 Favored 'General case' 0 C--N 1.352 0.684 0 O-C-N 120.204 -1.56 . . . . 1.0 111.203 159.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 38.8 t -63.31 -48.04 89.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 O-C-N 119.799 -1.813 . . . . 1.0 111.512 171.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.11 -43.16 91.89 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 126.094 1.758 . . . . 1.0 113.295 177.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 77.6 t -63.82 -44.64 98.23 Favored 'Isoleucine or valine' 0 C--N 1.349 0.55 0 C-N-CA 124.283 1.033 . . . . 1.0 112.29 173.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -65.98 -32.62 74.21 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 120.044 -1.66 . . . . 1.0 113.601 175.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.5 mm -62.16 -41.83 92.82 Favored 'Isoleucine or valine' 0 C--N 1.345 0.383 0 O-C-N 120.715 -1.241 . . . . 1.0 112.392 169.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -37.65 85.05 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 120.312 -1.492 . . . . 1.0 112.022 172.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . 0.285 95.8 mtt180 -67.46 -33.14 74.51 Favored 'General case' 0 CA--C 1.563 1.48 0 CA-C-N 119.77 1.168 . . . . 1.0 112.51 174.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . 0.265 38.9 tp -73.09 -33.54 65.67 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-N 119.849 1.204 . . . . 1.0 113.607 174.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -65.2 -40.35 94.07 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 119.715 1.143 . . . . 1.0 113.95 167.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -60.9 -42.83 98.8 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 120.771 -1.206 . . . . 1.0 112.57 174.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.19 -39.08 93.63 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 115.528 1.677 . . . . 1.0 115.528 174.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.1 mt -99.33 5.27 46.54 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 121.232 -0.918 . . . . 1.0 111.992 -174.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -57.29 -43.42 99.13 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-O 115.988 -1.958 . . . . 1.0 115.668 172.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -54.11 125.31 18.38 Favored 'Trans proline' 0 C--N 1.346 0.433 0 CA-C-N 124.846 2.767 . . . . 1.0 114.472 168.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.04 0.95 84.34 Favored Glycine 0 C--N 1.343 0.935 0 N-CA-C 115.442 0.937 . . . . 1.0 115.442 -176.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 73.49 39.64 49.64 Favored Glycine 0 C--N 1.349 1.301 0 O-C-N 120.767 -1.431 . . . . 1.0 116.371 173.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -102.87 -5.99 22.98 Favored 'General case' 0 C--N 1.348 0.543 0 O-C-N 121.003 -1.293 . . . . 1.0 112.505 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -53.21 -36.33 60.88 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 126.103 1.761 . . . . 1.0 114.731 170.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -67.72 -15.64 63.74 Favored 'General case' 0 C--N 1.345 0.374 0 N-CA-C 115.737 1.755 . . . . 1.0 115.737 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 84.1 mtp -61.63 -35.63 78.47 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 120.598 -1.314 . . . . 1.0 112.913 173.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.9 t -72.97 106.89 3.24 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 C-N-CA 124.406 1.082 . . . . 1.0 111.39 174.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -102.2 152.88 20.51 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.868 1.667 . . . . 1.0 110.763 -177.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.3 m -116.78 132.6 56.65 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-O 122.13 0.967 . . . . 1.0 110.068 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.9 t -114.38 105.2 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 C-N-CA 124.316 1.046 . . . . 1.0 108.382 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 66.6 ttt-85 -55.02 114.48 1.77 Allowed 'General case' 0 C--N 1.353 0.746 0 C-N-CA 125.634 1.574 . . . . 1.0 114.47 -174.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.25 -1.64 87.54 Favored Glycine 0 C--N 1.347 1.189 0 C-N-CA 124.49 1.043 . . . . 1.0 114.154 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 56.9 m -122.9 -44.83 2.18 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 118.684 1.242 . . . . 1.0 110.984 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 152.77 -136.07 5.2 Favored Glycine 0 C--N 1.35 1.324 0 O-C-N 119.531 -1.98 . . . . 1.0 113.797 -175.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -137.84 162.93 32.68 Favored 'General case' 0 C--N 1.344 0.355 0 O-C-N 121.435 -1.038 . . . . 1.0 111.167 -171.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -147.89 155.57 41.75 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 124.349 1.06 . . . . 1.0 108.772 -176.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -121.51 141.65 50.83 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 120.337 -1.477 . . . . 1.0 108.828 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.0 t -142.32 139.97 32.0 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.183 -1.573 . . . . 1.0 113.459 -174.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.0 p -100.23 0.95 41.33 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 126.325 1.85 . . . . 1.0 112.077 -176.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -74.32 -16.16 60.93 Favored 'General case' 0 C--N 1.349 0.569 0 N-CA-C 115.806 1.78 . . . . 1.0 115.806 -169.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 . . . . . 0 C--O 1.261 1.67 0 C-N-CA 124.373 1.069 . . . . 1.0 112.727 -176.389 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.459 0 O5'-C5'-C4' 113.965 2.689 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.962 0 OP1-P-OP2 115.993 -2.405 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.153 0 P-O5'-C5' 115.373 -3.455 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.563 -3.659 0 P-O5'-C5' 116.145 -2.972 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.979 0 P-O3'-C3' 122.464 2.303 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.692 0 OP1-P-OP2 116.381 -2.146 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.556 0 OP1-P-OP2 116.518 -2.054 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.574 -2.743 0 OP1-P-OP2 115.899 -2.467 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.56 -3.938 0 P-O3'-C3' 123.632 3.277 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.195 0 P-O5'-C5' 117.069 -2.394 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.182 0 OP1-P-OP2 116.726 -1.916 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.882 1 O4'-C1'-C2' 100.429 -5.155 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.879 0 OP1-P-OP2 116.478 -2.081 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.207 0 OP1-P-OP2 116.775 -1.883 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.438 0 P-O3'-C3' 122.886 2.655 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.823 0 OP1-P-OP2 116.735 -1.91 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.765 0 O5'-C5'-C4' 114.574 3.124 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.561 1 O4'-C1'-C2' 101.236 -4.421 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.561 -3.823 0 P-O3'-C3' 123.858 3.465 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.167 0 O4'-C1'-C2' 103.615 -2.259 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.568 -3.238 0 OP1-P-OP2 115.712 -2.592 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.561 -3.838 0 P-O3'-C3' 123.185 2.904 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.878 0 OP1-P-OP2 116.055 -2.363 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.56 -3.933 0 OP1-P-OP2 115.292 -2.872 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.561 -3.848 1 P-O3'-C3' 125.722 5.018 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.571 -3.02 1 O4'-C1'-C2' 101.281 -4.381 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.557 -4.192 0 P-O3'-C3' 124.394 3.911 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.555 -4.367 1 P-O3'-C3' 126.081 5.318 . . . . 1.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.767 0 O5'-C5'-C4' 113.042 2.03 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.946 0 OP1-P-OP2 116.292 -2.205 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.539 0 OP1-P-OP2 116.036 -2.376 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.415 0 OP1-P-OP2 115.844 -2.504 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 mmt . . . . . 0 N--CA 1.485 1.304 0 N-CA-C 113.204 0.816 . . . . 1.0 113.204 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.54 27.02 0.92 Allowed 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 120.971 -1.081 . . . . 1.0 110.244 -174.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.1 t 78.12 102.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.35 0.597 0 C-N-CA 127.069 2.148 . . . . 1.0 109.634 -171.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -95.28 1.87 54.62 Favored 'General case' 0 C--N 1.346 0.439 0 O-C-N 120.293 -1.505 . . . . 1.0 110.684 -172.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.4 -39.23 91.92 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 124.897 1.279 . . . . 1.0 112.646 166.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.7 t -60.32 137.93 22.0 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 C-N-CA 125.988 1.715 . . . . 1.0 111.365 172.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.6 mt -113.79 125.91 71.16 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 O-C-N 120.305 -1.497 . . . . 1.0 108.237 177.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -118.28 119.75 35.59 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 124.491 1.116 . . . . 1.0 110.688 176.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.1 ptp -150.56 142.82 24.2 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.59 -1.319 . . . . 1.0 110.344 169.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.422 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 24.6 mm100 51.82 35.62 15.93 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 116.266 1.95 . . . . 1.0 116.266 174.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.58 6.14 89.5 Favored Glycine 0 C--N 1.349 1.302 0 O-C-N 120.052 -1.655 . . . . 1.0 115.296 -177.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.6 tp -116.62 130.92 57.02 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 124.518 1.127 . . . . 1.0 109.002 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 90.3 p -128.73 135.57 49.39 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 120.988 -1.07 . . . . 1.0 112.533 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.6 tt -129.03 124.91 36.13 Favored 'General case' 0 C--N 1.344 0.345 0 O-C-N 120.82 -1.175 . . . . 1.0 109.602 -177.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -114.74 109.01 48.16 Favored Pre-proline 0 C--O 1.239 0.527 0 C-N-CA 125.815 1.646 . . . . 1.0 108.146 -177.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -63.08 -30.43 75.64 Favored 'Trans proline' 0 CA--C 1.51 -0.717 0 C-N-CA 123.029 2.486 . . . . 1.0 114.414 176.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.8 m -60.12 -44.46 94.88 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 119.632 1.105 . . . . 1.0 113.322 -173.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.3 m -104.63 -1.52 26.29 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 121.081 -1.012 . . . . 1.0 112.311 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.3 m170 71.66 39.82 0.84 Allowed 'General case' 0 CA--C 1.509 -0.615 0 C-N-CA 125.952 1.701 . . . . 1.0 110.333 174.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.8 ptt180 -123.09 136.67 54.9 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-O 122.471 1.129 . . . . 1.0 112.599 -166.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.0 t -113.87 135.55 53.16 Favored 'Isoleucine or valine' 0 C--N 1.346 0.433 0 N-CA-C 107.433 -1.321 . . . . 1.0 107.433 177.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 92.6 mtp -136.04 157.94 45.6 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 120.816 -1.177 . . . . 1.0 109.227 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.66 110.55 16.11 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 121.116 -0.99 . . . . 1.0 109.129 170.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.64 -108.4 1.96 Allowed Glycine 0 C--N 1.348 1.204 0 O-C-N 119.827 -1.796 . . . . 1.0 113.332 -168.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -113.32 14.65 19.29 Favored 'General case' 0 C--N 1.346 0.419 0 C-N-CA 123.692 0.797 . . . . 1.0 112.46 169.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -103.35 112.25 65.58 Favored Pre-proline 0 C--N 1.35 0.596 0 O-C-N 119.957 -1.714 . . . . 1.0 111.369 178.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -51.2 146.97 21.85 Favored 'Trans proline' 0 C--N 1.328 -0.547 0 C-N-CA 123.904 3.069 . . . . 1.0 118.383 167.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.6 mt -128.13 162.09 27.72 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.981 1.713 . . . . 1.0 108.515 172.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -131.02 139.74 50.01 Favored 'General case' 0 C--N 1.348 0.515 0 C-N-CA 124.493 1.117 . . . . 1.0 111.487 -171.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.0 ptp -162.55 161.61 26.92 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 120.783 -1.198 . . . . 1.0 111.531 175.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.98 170.12 52.18 Favored Glycine 0 C--N 1.349 1.269 0 O-C-N 119.501 -2.0 . . . . 1.0 114.086 170.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -70.62 -31.6 16.4 Favored 'Trans proline' 0 C--N 1.321 -0.887 0 C-N-CA 123.544 2.83 . . . . 1.0 112.326 -174.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.3 m -64.3 -40.05 95.17 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 119.825 1.193 . . . . 1.0 111.509 175.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.38 -42.41 92.73 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 125.352 1.461 . . . . 1.0 111.824 172.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -61.37 -45.89 92.48 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 120.883 -1.135 . . . . 1.0 113.445 176.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -61.65 -41.93 98.2 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 120.671 -1.268 . . . . 1.0 112.97 175.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.9 tp -62.95 -46.02 89.69 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 123.868 0.867 . . . . 1.0 112.85 173.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.4 tp -64.04 -40.63 96.73 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 120.724 -1.235 . . . . 1.0 113.534 177.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -60.91 -41.21 95.68 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.263 -1.523 . . . . 1.0 113.057 172.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -63.67 -44.21 94.43 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 120.614 -1.304 . . . . 1.0 112.487 173.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -62.38 -44.88 95.42 Favored 'General case' 0 C--N 1.344 0.35 0 N-CA-C 114.675 1.361 . . . . 1.0 114.675 173.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 90.2 mtp -75.05 -16.31 60.59 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 119.44 -2.037 . . . . 1.0 113.241 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.0 p -90.33 -5.36 56.32 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 120.401 -1.437 . . . . 1.0 111.121 170.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -142.81 67.52 18.39 Favored Pre-proline 0 C--N 1.354 0.763 0 N-CA-C 114.522 1.305 . . . . 1.0 114.522 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -76.63 143.96 24.61 Favored 'Trans proline' 0 C--N 1.331 -0.36 0 C-N-CA 123.008 2.472 . . . . 1.0 112.582 176.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 62.33 43.81 7.94 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 128.922 2.889 . . . . 1.0 113.887 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -134.28 118.69 17.83 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 107.308 -1.367 . . . . 1.0 107.308 177.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 19.5 t -68.26 132.34 32.83 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 O-C-N 119.565 -1.959 . . . . 1.0 112.202 177.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -125.86 127.06 45.47 Favored 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 107.051 -1.463 . . . . 1.0 107.051 174.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 93.8 p -59.59 157.69 11.23 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 124.691 1.197 . . . . 1.0 113.143 167.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 86.0 mtt85 -58.73 -35.73 73.17 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.242 -1.536 . . . . 1.0 112.392 172.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.41 -43.82 92.94 Favored 'General case' 0 C--N 1.352 0.694 0 N-CA-C 114.388 1.255 . . . . 1.0 114.388 168.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -64.2 -43.47 94.94 Favored 'General case' 0 C--N 1.36 1.054 0 O-C-N 119.601 -1.937 . . . . 1.0 111.851 174.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.25 -41.92 98.86 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 120.683 -1.261 . . . . 1.0 113.862 176.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.9 mt -60.75 -46.95 88.48 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.36 -1.463 . . . . 1.0 113.494 173.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -65.43 -45.12 85.11 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 121.006 -1.059 . . . . 1.0 113.709 176.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -73.01 -39.24 66.17 Favored 'General case' 0 C--N 1.347 0.489 0 N-CA-C 115.916 1.821 . . . . 1.0 115.916 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.1 t -97.56 -58.29 3.91 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 O-C-N 120.152 -1.593 . . . . 1.0 112.055 -171.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 13.7 m-90 -69.41 -44.41 71.46 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 121.142 -0.974 . . . . 1.0 111.472 178.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 134.62 157.52 8.13 Favored Glycine 0 C--N 1.344 1.002 0 CA-C-O 122.302 0.946 . . . . 1.0 111.53 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.5 p -64.89 -43.58 92.44 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 125.337 1.455 . . . . 1.0 114.347 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -103.52 -12.26 17.24 Favored 'General case' 0 C--N 1.347 0.476 0 C-N-CA 124.297 1.039 . . . . 1.0 111.332 -173.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.1 t -64.43 146.79 12.87 Favored 'Isoleucine or valine' 0 C--N 1.35 0.611 0 C-N-CA 125.681 1.592 . . . . 1.0 109.974 160.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -150.27 153.13 35.63 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 119.787 -1.821 . . . . 1.0 109.945 175.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 m -150.48 179.82 0.52 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 103.34 -2.837 . . . . 1.0 103.34 176.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -69.4 151.38 46.21 Favored 'General case' 0 N--CA 1.44 -0.934 0 O-C-N 120.291 -1.506 . . . . 1.0 110.149 169.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -57.24 -30.17 64.39 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 125.263 1.425 . . . . 1.0 112.231 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -89.27 9.77 24.69 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 114.794 1.405 . . . . 1.0 114.794 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.4 m -76.2 -20.3 57.61 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 119.43 -2.044 . . . . 1.0 110.848 165.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.7 t -63.76 -48.46 86.4 Favored 'Isoleucine or valine' 0 C--N 1.355 0.831 0 O-C-N 120.217 -1.552 . . . . 1.0 112.678 171.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.54 -42.47 87.91 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 126.101 1.76 . . . . 1.0 113.57 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 70.0 t -62.69 -43.84 98.96 Favored 'Isoleucine or valine' 0 C--N 1.348 0.52 0 C-N-CA 125.062 1.345 . . . . 1.0 112.221 174.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -66.93 -37.14 83.78 Favored 'General case' 0 C--N 1.347 0.489 0 O-C-N 120.273 -1.517 . . . . 1.0 114.432 175.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . 0.331 13.8 mm -51.72 -49.02 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.916 1.686 . . . . 1.0 113.038 169.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . 0.301 0.0 OUTLIER -50.7 -51.73 46.86 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 124.409 2.052 . . . . 1.0 112.612 171.465 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -56.55 -48.56 77.05 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 126.269 1.827 . . . . 1.0 112.849 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 38.2 tp -59.84 -46.15 90.18 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 120.139 -1.601 . . . . 1.0 113.06 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -58.53 -45.63 88.46 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 120.209 -1.557 . . . . 1.0 113.964 170.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.8 tptp -60.89 -39.35 88.96 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.452 -1.405 . . . . 1.0 113.513 176.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.28 -38.9 91.13 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 115.142 1.534 . . . . 1.0 115.142 173.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.7 mt -95.22 -4.33 46.04 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.21 -1.556 . . . . 1.0 111.721 -174.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -59.59 -45.44 98.68 Favored Pre-proline 0 C--N 1.35 0.612 0 N-CA-C 115.968 1.84 . . . . 1.0 115.968 176.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -70.46 -21.08 30.73 Favored 'Trans proline' 0 CA--C 1.515 -0.434 0 CA-C-N 125.851 3.125 . . . . 1.0 111.285 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -84.76 -7.78 83.68 Favored Glycine 0 C--N 1.346 1.131 0 C-N-CA 123.481 0.562 . . . . 1.0 114.132 170.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.12 11.57 84.75 Favored Glycine 0 C--N 1.352 1.448 0 CA-C-N 119.136 1.468 . . . . 1.0 115.2 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.422 ' CE1' ' O ' ' A' ' 10' ' ' GLN . 98.3 m-70 -112.89 12.76 19.49 Favored 'General case' 0 C--N 1.344 0.342 0 O-C-N 120.903 -1.351 . . . . 1.0 112.787 -169.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -58.44 -32.02 68.3 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 126.015 1.726 . . . . 1.0 113.867 168.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -54.07 -31.36 51.44 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 127.761 2.424 . . . . 1.0 115.83 -177.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 75.0 mtp -61.56 -35.3 77.41 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 125.506 1.523 . . . . 1.0 114.836 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 32.0 t -75.99 97.99 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.494 0 C-N-CA 124.381 1.073 . . . . 1.0 110.471 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -97.16 158.97 15.18 Favored 'General case' 0 N--CA 1.444 -0.741 0 O-C-N 120.695 -1.253 . . . . 1.0 110.798 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 56.2 m -115.17 133.43 56.05 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 108.374 -0.973 . . . . 1.0 108.374 -177.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.9 t -111.49 104.01 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 N-CA-C 107.016 -1.476 . . . . 1.0 107.016 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -57.26 128.44 37.02 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 125.201 1.401 . . . . 1.0 113.12 -176.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.82 1.99 90.63 Favored Glycine 0 C--N 1.348 1.235 0 C-N-CA 125.171 1.367 . . . . 1.0 114.065 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 40.4 m -134.95 -61.86 0.74 Allowed 'General case' 0 CA--C 1.508 -0.66 0 O-C-N 121.432 -1.04 . . . . 1.0 110.705 -175.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 163.97 -128.36 1.81 Allowed Glycine 0 CA--C 1.496 -1.114 0 O-C-N 120.223 -1.548 . . . . 1.0 112.146 -170.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -141.78 155.58 45.6 Favored 'General case' 0 C--N 1.346 0.436 0 O-C-N 121.201 -1.176 . . . . 1.0 111.21 -167.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -139.21 134.67 33.03 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 125.073 1.349 . . . . 1.0 108.817 -172.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -110.08 121.57 45.56 Favored 'General case' 0 CA--C 1.509 -0.625 0 O-C-N 120.215 -1.553 . . . . 1.0 108.507 -177.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.9 t -119.15 140.35 50.3 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 123.145 1.45 . . . . 1.0 114.242 -163.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.92 6.34 49.33 Favored 'General case' 0 C--N 1.347 0.491 0 C-N-CA 126.082 1.753 . . . . 1.0 111.861 177.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -81.57 -14.99 56.14 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 120.117 -1.615 . . . . 1.0 113.479 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 . . . . . 0 C--O 1.257 1.479 0 C-N-CA 123.83 0.852 . . . . 1.0 111.439 -170.166 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.432 0 O5'-C5'-C4' 114.305 2.932 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.552 0 O4'-C1'-C2' 102.781 -3.017 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.963 0 OP1-P-OP2 116.324 -2.184 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.562 -3.731 0 P-O5'-C5' 114.715 -3.865 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.387 0 P-O5'-C5' 116.2 -2.937 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.568 -3.256 1 P-O3'-C3' 125.366 4.722 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.552 -4.575 1 P-O3'-C3' 124.736 4.197 . . . . 1.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.613 0 OP1-P-OP2 115.576 -2.683 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.815 0 OP1-P-OP2 115.503 -2.731 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.396 0 C4'-C3'-O3' 115.883 2.538 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.562 -3.718 1 P-O3'-C3' 131.39 9.742 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.284 0 OP1-P-OP2 115.132 -2.979 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.74 0 OP1-P-OP2 116.335 -2.177 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.315 0 OP1-P-OP2 115.651 -2.632 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.77 0 OP1-P-OP2 115.887 -2.475 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.231 0 C4'-C3'-O3' 115.298 2.272 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.368 0 O5'-C5'-C4' 114.172 2.837 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.573 -2.829 0 O5'-C5'-C4' 112.891 1.922 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.499 0 OP1-P-OP2 116.144 -2.304 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.714 0 OP1-P-OP2 115.932 -2.446 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.761 0 O5'-C5'-C4' 112.571 1.694 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.7 0 OP1-P-OP2 116.082 -2.345 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.158 0 OP1-P-OP2 116.033 -2.378 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.566 -3.45 0 P-O5'-C5' 116.005 -3.06 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.151 0 P-O3'-C3' 123.615 3.262 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.572 -2.904 0 O4'-C1'-C2' 102.107 -3.63 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.564 -3.608 0 P-O3'-C3' 124.174 3.729 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.493 0 P-O3'-C3' 122.736 2.53 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.992 0 OP1-P-OP2 116.507 -2.062 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.93 0 OP1-P-OP2 115.864 -2.491 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.013 0 O5'-C5'-C4' 113.877 2.626 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.982 0 OP1-P-OP2 115.658 -2.628 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 113.314 0.857 . . . . 1.0 113.314 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 46.17 -145.52 0.2 Allowed 'General case' 0 C--N 1.351 0.647 0 N-CA-C 117.291 2.33 . . . . 1.0 117.291 -178.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.9 p -66.9 -41.45 87.61 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 N-CA-C 116.667 2.099 . . . . 1.0 116.667 -169.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -77.98 -45.44 23.84 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 119.82 -1.8 . . . . 1.0 113.126 -178.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.282 6.0 tp10 69.95 145.16 0.06 Allowed 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 126.793 2.037 . . . . 1.0 115.243 176.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.7 t -58.78 139.62 18.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 C-N-CA 125.627 1.571 . . . . 1.0 111.766 175.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.3 mt -113.99 127.37 71.42 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.48 0 N-CA-C 106.475 -1.676 . . . . 1.0 106.475 174.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -132.36 122.71 25.47 Favored 'General case' 0 C--N 1.346 0.448 0 O-C-N 120.984 -1.072 . . . . 1.0 109.91 177.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -151.78 140.81 21.16 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 121.174 -0.954 . . . . 1.0 109.824 179.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 61.23 21.59 12.03 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 125.769 1.627 . . . . 1.0 115.008 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.44 0.36 88.99 Favored Glycine 0 C--N 1.352 1.428 0 O-C-N 120.58 -1.325 . . . . 1.0 115.071 -171.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.9 tp -99.68 128.08 45.79 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.301 1.44 . . . . 1.0 108.141 177.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.8 p -125.44 144.76 50.38 Favored 'General case' 0 CA--C 1.512 -0.507 0 O-C-N 120.794 -1.191 . . . . 1.0 111.802 -177.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.8 tt -139.21 128.43 24.01 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 124.217 1.007 . . . . 1.0 109.409 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -110.6 113.83 55.39 Favored Pre-proline 0 C--N 1.348 0.509 0 N-CA-C 107.419 -1.326 . . . . 1.0 107.419 176.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -71.09 -21.41 27.45 Favored 'Trans proline' 0 CA--C 1.51 -0.701 0 C-N-CA 122.651 2.234 . . . . 1.0 112.9 -176.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.7 m -85.18 -44.4 12.97 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-N 118.9 0.773 . . . . 1.0 110.291 -175.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.9 m -77.89 -15.33 59.11 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 120.793 -1.192 . . . . 1.0 112.793 174.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.9 m170 67.78 37.08 3.3 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 125.223 1.409 . . . . 1.0 111.52 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -118.78 133.82 55.58 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.389 1.076 . . . . 1.0 109.84 -164.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.1 t -121.18 132.77 69.76 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 N-CA-C 107.902 -1.148 . . . . 1.0 107.902 175.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 72.1 mtp -132.77 153.79 50.88 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 121.109 -0.995 . . . . 1.0 111.016 176.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -128.01 124.64 37.67 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 107.263 -1.384 . . . . 1.0 107.263 170.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.96 -113.86 4.79 Favored Glycine 0 C--N 1.352 1.47 0 O-C-N 121.416 -0.803 . . . . 1.0 112.897 -169.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -103.73 3.07 33.76 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.879 1.271 . . . . 1.0 113.716 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -123.81 139.65 32.79 Favored Pre-proline 0 C--N 1.357 0.911 0 O-C-N 120.507 -1.371 . . . . 1.0 113.39 -171.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -70.89 162.92 40.99 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 123.437 2.758 . . . . 1.0 113.816 173.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.6 mt -124.48 163.06 22.62 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-O 122.44 1.114 . . . . 1.0 111.19 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -117.36 121.83 42.19 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 120.744 -1.223 . . . . 1.0 112.028 -170.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.7 ptp -160.26 163.51 33.4 Favored 'General case' 0 N--CA 1.445 -0.697 0 O-C-N 121.544 -0.723 . . . . 1.0 109.44 176.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -85.66 177.49 49.9 Favored Glycine 0 C--N 1.352 1.452 0 O-C-N 121.304 -0.873 . . . . 1.0 112.929 177.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -72.21 -31.59 11.68 Favored 'Trans proline' 0 C--N 1.326 -0.623 0 C-N-CA 122.564 2.176 . . . . 1.0 112.689 -173.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.3 m -64.85 -43.26 93.58 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.745 1.157 . . . . 1.0 112.115 172.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -63.03 -41.49 99.54 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 120.568 -1.333 . . . . 1.0 112.709 172.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -60.38 -44.56 95.51 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 121.081 -1.012 . . . . 1.0 112.625 175.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -62.46 -42.89 99.79 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.844 -1.16 . . . . 1.0 112.839 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.2 tp -63.62 -45.16 91.54 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 124.868 1.267 . . . . 1.0 113.543 172.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.2 tp -63.85 -40.76 97.33 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 120.383 -1.448 . . . . 1.0 113.21 176.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.4 t-160 -61.01 -41.29 96.27 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.505 -1.372 . . . . 1.0 112.87 173.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -61.41 -46.0 91.97 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 120.956 -1.09 . . . . 1.0 111.987 170.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -61.8 -43.5 98.73 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 120.326 -1.484 . . . . 1.0 114.901 175.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 96.9 mtp -75.34 -16.44 60.4 Favored 'General case' 0 C--N 1.346 0.416 0 O-C-N 119.598 -1.938 . . . . 1.0 113.405 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.5 p -95.58 -1.86 49.56 Favored 'General case' 0 C--N 1.347 0.473 0 O-C-N 120.732 -1.23 . . . . 1.0 110.918 169.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -141.47 61.01 12.75 Favored Pre-proline 0 C--N 1.349 0.555 0 O-C-N 120.556 -1.34 . . . . 1.0 113.637 175.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -77.41 149.32 27.41 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 122.676 2.251 . . . . 1.0 111.617 177.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . 0.298 20.7 mm-40 81.53 32.21 0.12 Allowed 'General case' 0 C--N 1.344 0.365 0 C-N-CA 126.598 1.959 . . . . 1.0 114.752 168.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -142.27 141.39 32.44 Favored 'General case' 0 C--N 1.346 0.452 0 O-C-N 121.201 -0.937 . . . . 1.0 110.187 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.6 t -84.34 132.41 31.64 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 CA-C-O 122.352 1.072 . . . . 1.0 110.988 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -124.95 130.15 51.78 Favored 'General case' 0 CA--C 1.51 -0.569 0 C-N-CA 124.924 1.29 . . . . 1.0 108.425 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 84.7 p -66.57 160.52 25.09 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 123.58 0.752 . . . . 1.0 110.739 168.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -59.77 -36.82 77.47 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 120.128 -1.608 . . . . 1.0 112.098 175.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 -60.08 -42.1 93.89 Favored 'General case' 0 C--N 1.347 0.462 0 N-CA-C 114.504 1.298 . . . . 1.0 114.504 170.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -64.45 -41.29 96.61 Favored 'General case' 0 C--N 1.362 1.111 0 O-C-N 119.626 -1.921 . . . . 1.0 111.727 174.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.88 -41.01 97.36 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.698 -1.251 . . . . 1.0 113.573 172.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.4 mt -60.3 -47.08 87.56 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.321 -1.487 . . . . 1.0 113.12 171.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -62.91 -45.51 92.16 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 121.152 -0.968 . . . . 1.0 113.442 177.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -70.62 -34.9 72.62 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 115.927 1.825 . . . . 1.0 115.927 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.7 t -109.25 -72.49 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.457 0 O-C-N 121.065 -1.022 . . . . 1.0 110.943 -171.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 8.3 m-90 -61.06 -37.35 82.35 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 125.685 1.594 . . . . 1.0 114.864 -173.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 141.18 148.37 5.07 Favored Glycine 0 C--N 1.345 1.052 0 CA-C-O 122.418 1.01 . . . . 1.0 112.546 177.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.0 p -72.39 -17.15 61.84 Favored 'General case' 0 CA--C 1.516 -0.34 0 O-C-N 120.401 -1.646 . . . . 1.0 113.92 -178.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -115.94 11.28 15.41 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.731 -1.231 . . . . 1.0 110.879 177.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.3 p -61.32 146.15 12.1 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 O-C-N 120.285 -1.509 . . . . 1.0 114.028 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -114.0 5.81 16.25 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 122.376 1.084 . . . . 1.0 112.391 -161.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 31.0 m -76.03 160.6 4.97 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 CA-C-O 123.121 1.439 . . . . 1.0 113.344 -176.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -76.13 150.17 37.24 Favored 'General case' 0 N--CA 1.434 -1.242 0 O-C-N 120.866 -1.146 . . . . 1.0 110.159 172.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.66 -29.96 66.98 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.198 1.799 . . . . 1.0 110.92 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -72.86 -7.52 51.23 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 114.957 1.465 . . . . 1.0 114.957 177.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 50.8 m -70.03 -26.17 63.91 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 119.449 -2.032 . . . . 1.0 111.824 165.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.6 t -63.26 -45.74 97.55 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 O-C-N 120.254 -1.529 . . . . 1.0 111.897 169.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -56.33 -44.17 79.74 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 124.871 1.268 . . . . 1.0 113.064 -179.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 88.1 t -64.35 -44.69 97.24 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 C-N-CA 125.236 1.414 . . . . 1.0 112.983 176.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -72.47 -30.89 64.96 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 119.672 -1.893 . . . . 1.0 113.269 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 11.1 mm -61.34 -42.98 95.72 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 O-C-N 120.482 -1.386 . . . . 1.0 111.707 168.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.59 -45.63 93.3 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 121.025 -1.047 . . . . 1.0 112.256 175.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 45.5 mtt-85 -59.56 -42.41 92.36 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 114.869 1.433 . . . . 1.0 114.869 170.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 45.6 tp -62.33 -42.9 99.76 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.841 -1.162 . . . . 1.0 113.216 175.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -60.26 -44.49 95.25 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 119.904 -1.747 . . . . 1.0 113.883 170.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -61.56 -35.35 77.52 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-O 122.567 1.175 . . . . 1.0 113.302 175.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.32 -39.7 93.92 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 114.837 1.421 . . . . 1.0 114.837 171.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.5 mt -96.94 -7.37 33.37 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.639 -1.288 . . . . 1.0 111.624 -173.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.14 -46.17 97.87 Favored Pre-proline 0 C--N 1.349 0.565 0 N-CA-C 116.436 2.013 . . . . 1.0 116.436 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -76.98 -14.72 16.88 Favored 'Trans proline' 0 CA--C 1.518 -0.324 0 CA-C-N 125.747 3.088 . . . . 1.0 110.509 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -85.54 -2.9 86.88 Favored Glycine 0 C--N 1.348 1.208 0 C-N-CA 125.244 1.402 . . . . 1.0 113.788 169.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.6 8.99 87.42 Favored Glycine 0 C--N 1.35 1.342 0 CA-C-N 118.669 1.235 . . . . 1.0 115.737 177.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -118.9 18.61 13.23 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 120.681 -1.482 . . . . 1.0 114.889 -167.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 48.2 p-10 -54.37 -33.2 58.65 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.964 1.306 . . . . 1.0 113.792 162.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -55.32 -35.54 65.26 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 127.838 2.455 . . . . 1.0 114.495 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 60.7 mtp -60.57 -37.53 81.58 Favored 'General case' 0 C--N 1.346 0.446 0 N-CA-C 113.975 1.102 . . . . 1.0 113.975 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 38.3 t -81.46 98.08 3.94 Favored 'Isoleucine or valine' 0 C--N 1.346 0.429 0 C-N-CA 124.243 1.017 . . . . 1.0 109.984 176.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -96.06 155.97 16.53 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.309 1.444 . . . . 1.0 111.417 -175.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.1 m -110.36 138.73 46.35 Favored 'General case' 0 CA--C 1.502 -0.897 0 C-N-CA 124.371 1.068 . . . . 1.0 108.665 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 46.9 t -119.99 103.78 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 108.287 -1.005 . . . . 1.0 108.287 173.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 71.6 ttt-85 -53.01 124.28 13.85 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 125.616 1.566 . . . . 1.0 114.342 -178.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.33 3.15 90.65 Favored Glycine 0 C--N 1.351 1.375 0 C-N-CA 125.414 1.483 . . . . 1.0 114.516 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 69.3 m -135.09 -59.65 0.78 Allowed 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 121.522 -0.987 . . . . 1.0 110.904 -172.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 165.51 -133.9 3.12 Favored Glycine 0 C--N 1.35 1.331 0 O-C-N 119.87 -1.769 . . . . 1.0 113.624 -173.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -141.01 165.75 26.7 Favored 'General case' 0 C--N 1.345 0.374 0 O-C-N 121.756 -0.849 . . . . 1.0 110.348 -172.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -146.29 149.76 34.47 Favored 'General case' 0 C--N 1.347 0.483 0 O-C-N 120.937 -1.102 . . . . 1.0 108.397 -178.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -109.97 139.29 45.23 Favored 'General case' 0 C--N 1.349 0.575 0 N-CA-C 107.602 -1.258 . . . . 1.0 107.602 171.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.8 t -144.6 147.93 33.73 Favored 'General case' 0 CA--C 1.506 -0.747 0 O-C-N 120.409 -1.432 . . . . 1.0 112.864 -171.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 38.6 p -109.67 15.44 22.82 Favored 'General case' 0 CA--C 1.511 -0.554 0 C-N-CA 126.512 1.925 . . . . 1.0 111.028 -177.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 45.8 tpt85 -64.49 -42.38 95.91 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 120.847 -1.158 . . . . 1.0 113.637 171.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 . . . . . 0 C--O 1.26 1.626 0 C-N-CA 124.934 1.294 . . . . 1.0 109.236 179.352 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.556 0 O5'-C5'-C4' 114.03 2.736 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.373 0 OP1-P-OP2 116.687 -1.942 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.834 0 OP1-P-OP2 116.834 -1.844 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.911 0 O5'-C5'-C4' 113.654 2.467 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.904 0 P-O5'-C5' 115.891 -3.131 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.322 0 OP1-P-OP2 115.684 -2.61 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.87 0 P-O3'-C3' 122.92 2.683 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.568 -2.504 0 OP1-P-OP2 116.195 -2.27 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.561 -3.851 1 P-O3'-C3' 126.639 5.783 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.564 -3.572 0 P-O3'-C3' 122.513 2.344 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.821 0 P-O3'-C3' 123.37 3.058 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.299 0 O4'-C1'-C2' 102.562 -3.216 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.912 0 P-O3'-C3' 123.171 2.893 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.258 0 OP1-P-OP2 116.196 -2.27 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.917 0 OP1-P-OP2 116.06 -2.36 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.431 0 C4'-C3'-O3' 116.356 2.753 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.633 0 O5'-C5'-C4' 115.3 3.643 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.518 0 OP1-P-OP2 115.718 -2.588 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.528 0 P-O5'-C5' 117.537 -2.102 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.036 0 OP1-P-OP2 116.083 -2.345 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.156 0 OP1-P-OP2 115.951 -2.432 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.416 0 OP1-P-OP2 116.891 -1.806 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.102 0 OP1-P-OP2 116.057 -2.362 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.48 0 P-O5'-C5' 114.617 -3.927 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.566 -3.434 0 P-O3'-C3' 124.452 3.96 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.426 0 O4'-C1'-C2' 102.362 -3.399 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.592 0 P-O3'-C3' 123.772 3.393 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.143 0 OP1-P-OP2 116.065 -2.357 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.583 0 O4'-C1'-N19 109.939 2.674 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.047 0 O5'-C5'-C4' 113.421 2.301 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.57 -3.114 0 OP1-P-OP2 116.275 -2.217 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.069 0 C4'-C3'-O3' 115.326 2.285 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.4 tpt . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 114.912 1.449 . . . . 1.0 114.912 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.56 14.32 9.48 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 120.845 -1.159 . . . . 1.0 113.375 -174.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.3 m -121.05 -4.64 9.31 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 O-C-N 120.684 -1.26 . . . . 1.0 112.918 -175.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 56.4 mp0 -61.04 145.66 49.99 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 115.516 1.672 . . . . 1.0 115.516 -176.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -95.28 -15.13 23.39 Favored 'General case' 0 C--N 1.347 0.49 0 C-N-CA 125.256 1.422 . . . . 1.0 112.556 -169.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.7 m -152.84 155.41 6.58 Favored 'Isoleucine or valine' 0 C--N 1.344 0.356 0 N-CA-C 104.822 -2.288 . . . . 1.0 104.822 173.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.2 mt -128.53 120.0 51.62 Favored 'Isoleucine or valine' 0 C--N 1.345 0.406 0 N-CA-C 106.776 -1.565 . . . . 1.0 106.776 162.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -109.42 110.4 21.52 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 107.703 -1.221 . . . . 1.0 107.703 169.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 55.8 ttp -143.77 119.12 10.24 Favored 'General case' 0 N--CA 1.449 -0.478 0 O-C-N 120.465 -1.397 . . . . 1.0 111.068 -173.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 54.96 45.6 26.09 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 116.464 2.024 . . . . 1.0 116.464 174.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.9 6.07 88.74 Favored Glycine 0 C--N 1.346 1.096 0 O-C-N 120.81 -1.181 . . . . 1.0 113.437 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.9 tp -122.83 126.68 47.86 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 124.177 0.991 . . . . 1.0 109.158 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.3 p -122.39 126.48 48.07 Favored 'General case' 0 CA--C 1.51 -0.569 0 O-C-N 120.421 -1.424 . . . . 1.0 111.739 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.9 tt -124.91 137.37 54.28 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 125.213 1.405 . . . . 1.0 109.5 -174.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -120.64 117.13 31.48 Favored Pre-proline 0 N--CA 1.449 -0.512 0 N-CA-C 107.759 -1.2 . . . . 1.0 107.759 176.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_exo -64.66 -32.59 57.41 Favored 'Trans proline' 0 CA--C 1.513 -0.538 0 C-N-CA 122.855 2.37 . . . . 1.0 113.901 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.5 m -70.41 -47.92 58.54 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 118.79 0.723 . . . . 1.0 111.561 -174.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.7 p -87.98 -15.03 37.59 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 120.312 -1.492 . . . . 1.0 112.509 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.2 m170 66.09 28.86 10.19 Favored 'General case' 0 C--N 1.35 0.616 0 C-N-CA 126.674 1.99 . . . . 1.0 113.009 -172.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -97.9 132.41 43.51 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 121.117 -0.989 . . . . 1.0 111.068 -173.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 50.5 t -119.49 126.25 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 C-N-CA 124.875 1.27 . . . . 1.0 107.611 177.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.4 mtp -126.6 146.71 50.05 Favored 'General case' 0 N--CA 1.448 -0.526 0 O-C-N 120.8 -1.188 . . . . 1.0 109.905 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.17 108.33 16.82 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.454 -0.943 . . . . 1.0 108.454 171.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.89 -105.54 0.87 Allowed Glycine 0 C--N 1.349 1.288 0 O-C-N 121.186 -0.946 . . . . 1.0 112.47 -165.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -110.44 4.42 20.55 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.993 1.317 . . . . 1.0 111.576 177.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -98.62 117.14 64.99 Favored Pre-proline 0 C--N 1.35 0.611 0 O-C-N 119.889 -1.757 . . . . 1.0 111.684 -175.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -76.83 139.79 20.03 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 CA-C-N 123.864 2.416 . . . . 1.0 112.004 175.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.4 mt -112.74 166.71 11.11 Favored 'General case' 0 C--N 1.346 0.448 0 C-N-CA 124.98 1.312 . . . . 1.0 110.86 -174.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -128.23 138.35 52.41 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 114.275 1.213 . . . . 1.0 114.275 -175.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 21.6 ptp -162.19 163.22 28.45 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 120.929 -1.107 . . . . 1.0 110.737 177.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.63 175.81 53.42 Favored Glycine 0 C--N 1.35 1.307 0 O-C-N 121.025 -1.047 . . . . 1.0 112.654 171.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -73.69 -33.16 6.84 Favored 'Trans proline' 0 C--N 1.325 -0.686 0 C-N-CA 122.29 1.993 . . . . 1.0 112.555 -168.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.3 m -67.2 -36.55 81.97 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 120.353 1.433 . . . . 1.0 111.692 176.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.03 -41.89 97.27 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.275 -1.516 . . . . 1.0 111.994 170.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -61.18 -44.95 96.49 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 121.12 -0.988 . . . . 1.0 112.707 174.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -60.15 -42.84 95.73 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.803 -1.186 . . . . 1.0 113.178 174.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.7 tp -65.12 -45.73 83.88 Favored 'General case' 0 C--N 1.35 0.615 0 N-CA-C 113.567 0.951 . . . . 1.0 113.567 175.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.9 tp -63.64 -42.73 98.1 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.815 -1.178 . . . . 1.0 112.726 176.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -61.04 -41.56 96.82 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.801 -1.187 . . . . 1.0 113.083 175.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -63.16 -46.24 88.1 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 121.303 -0.873 . . . . 1.0 112.692 172.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -63.24 -41.25 99.07 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 120.188 -1.57 . . . . 1.0 114.831 175.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 85.1 mtp -63.95 -33.05 74.84 Favored 'General case' 0 C--N 1.346 0.446 0 O-C-N 120.205 -1.559 . . . . 1.0 114.55 175.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.8 p -79.53 -13.43 59.55 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 120.338 -1.476 . . . . 1.0 112.934 172.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -129.96 65.21 74.73 Favored Pre-proline 0 C--N 1.352 0.678 0 O-C-N 120.564 -1.335 . . . . 1.0 114.016 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -76.09 149.83 32.89 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.964 2.443 . . . . 1.0 112.218 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 63.57 42.12 6.74 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 127.273 2.229 . . . . 1.0 115.213 173.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -146.64 137.31 23.95 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 120.815 -1.178 . . . . 1.0 108.152 174.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.9 t -89.52 127.09 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-O 122.587 1.184 . . . . 1.0 110.854 -176.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -115.49 128.74 56.22 Favored 'General case' 0 CA--C 1.502 -0.882 0 C-N-CA 125.379 1.471 . . . . 1.0 107.221 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 42.4 p -64.86 161.5 18.16 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 123.876 0.87 . . . . 1.0 111.575 171.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -60.43 -37.08 79.77 Favored 'General case' 0 C--N 1.346 0.439 0 O-C-N 120.277 -1.515 . . . . 1.0 111.915 174.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -60.0 -43.44 95.19 Favored 'General case' 0 C--N 1.348 0.523 0 N-CA-C 114.33 1.233 . . . . 1.0 114.33 170.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -64.38 -41.62 96.59 Favored 'General case' 0 C--N 1.362 1.122 0 O-C-N 119.594 -1.941 . . . . 1.0 112.007 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.39 -42.17 98.29 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.794 -1.191 . . . . 1.0 112.743 173.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 72.3 mt -59.75 -40.26 87.52 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.514 -1.366 . . . . 1.0 113.832 171.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -63.37 -48.48 77.74 Favored 'General case' 0 C--N 1.348 0.536 0 O-C-N 120.376 -1.452 . . . . 1.0 113.029 173.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -78.26 -39.99 38.46 Favored 'General case' 0 C--N 1.345 0.375 0 N-CA-C 115.86 1.8 . . . . 1.0 115.86 -175.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 73.5 t -106.33 -29.51 2.7 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 O-C-N 120.377 -1.452 . . . . 1.0 112.051 -167.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 9.8 m-90 -100.62 -13.98 18.34 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 120.378 -1.451 . . . . 1.0 110.252 177.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.37 22.68 28.72 Favored Glycine 0 C--N 1.346 1.108 0 O-C-N 120.53 -1.356 . . . . 1.0 114.686 166.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.5 m 79.52 -47.76 0.37 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.479 1.512 . . . . 1.0 113.321 168.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -91.04 34.65 0.92 Allowed 'General case' 0 C--N 1.345 0.385 0 C-N-CA 125.891 1.676 . . . . 1.0 111.685 -174.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 77.6 t -125.65 133.73 68.42 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.846 0 N-CA-C 105.338 -2.097 . . . . 1.0 105.338 174.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -118.41 6.09 11.8 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 122.679 1.228 . . . . 1.0 113.837 -148.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.2 m -41.18 157.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 130.419 3.488 . . . . 1.0 116.506 172.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -58.56 162.93 3.48 Favored 'General case' 0 C--N 1.347 0.46 0 O-C-N 120.737 -1.227 . . . . 1.0 113.617 164.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -57.96 -32.6 68.01 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.633 -1.292 . . . . 1.0 113.255 173.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -91.96 0.44 57.47 Favored 'General case' 0 N--CA 1.447 -0.624 0 O-C-N 120.221 -1.549 . . . . 1.0 114.573 -160.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.2 t -73.21 -21.19 60.71 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 119.967 -1.708 . . . . 1.0 110.979 164.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.6 t -63.14 -47.5 92.13 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 O-C-N 120.077 -1.64 . . . . 1.0 111.706 168.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.78 -44.39 90.69 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 126.103 1.761 . . . . 1.0 112.828 176.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 69.5 t -63.76 -43.12 97.87 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 C-N-CA 124.546 1.139 . . . . 1.0 112.84 173.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -66.09 -36.04 82.12 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 119.738 -1.851 . . . . 1.0 113.53 174.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.5 mm -60.28 -41.45 87.08 Favored 'Isoleucine or valine' 0 C--N 1.348 0.515 0 O-C-N 120.27 -1.519 . . . . 1.0 112.723 170.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -60.45 -45.03 95.17 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 120.511 -1.368 . . . . 1.0 112.609 171.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -62.07 -39.35 92.11 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.684 -1.26 . . . . 1.0 113.798 174.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.5 tp -64.16 -45.13 89.8 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 124.713 1.205 . . . . 1.0 113.974 173.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -59.86 -43.19 94.8 Favored 'General case' 0 C--N 1.355 0.804 0 O-C-N 119.813 -1.804 . . . . 1.0 113.721 171.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -59.79 -41.66 91.64 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 121.031 -1.043 . . . . 1.0 113.004 173.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.4 93.61 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 115.144 1.535 . . . . 1.0 115.144 174.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.9 mt -97.99 0.63 46.71 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 121.045 -1.034 . . . . 1.0 112.251 -173.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -61.31 -45.87 95.09 Favored Pre-proline 0 CA--C 1.538 0.5 0 CA-C-O 117.055 -1.45 . . . . 1.0 114.891 172.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -56.94 124.15 15.57 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 CA-C-N 125.369 2.953 . . . . 1.0 112.57 159.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.36 -0.27 89.16 Favored Glycine 0 C--N 1.342 0.916 0 C-N-CA 125.899 1.714 . . . . 1.0 115.334 -172.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 69.3 39.37 81.75 Favored Glycine 0 C--N 1.349 1.303 0 N-CA-C 117.622 1.809 . . . . 1.0 117.622 167.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -109.74 4.45 21.86 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 119.44 1.62 . . . . 1.0 113.011 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -54.7 -33.18 60.59 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.447 -1.408 . . . . 1.0 114.117 167.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -58.64 -27.42 64.73 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 116.764 2.135 . . . . 1.0 116.764 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 59.1 mtp -66.85 -35.84 80.96 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 125.026 1.33 . . . . 1.0 113.88 176.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.8 t -78.36 100.1 3.22 Favored 'Isoleucine or valine' 0 C--N 1.349 0.563 0 C-N-CA 126.234 1.814 . . . . 1.0 110.975 -176.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -121.69 153.08 38.65 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 120.349 -1.469 . . . . 1.0 112.417 -166.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 66.6 m -113.94 134.87 54.55 Favored 'General case' 0 CA--C 1.505 -0.76 0 C-N-CA 124.173 0.989 . . . . 1.0 111.256 -168.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.4 t -114.18 106.92 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 C-N-CA 124.819 1.248 . . . . 1.0 107.992 177.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.6 ttt85 -60.31 129.05 39.75 Favored 'General case' 0 C--N 1.346 0.451 0 C-N-CA 125.431 1.493 . . . . 1.0 113.34 -176.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.13 2.77 90.63 Favored Glycine 0 C--N 1.348 1.236 0 O-C-N 121.091 -1.006 . . . . 1.0 114.072 -178.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 85.7 m -133.49 -63.77 0.74 Allowed 'General case' 0 C--N 1.349 0.559 0 O-C-N 121.152 -1.205 . . . . 1.0 110.334 -176.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 161.85 -130.13 2.24 Favored Glycine 0 C--N 1.347 1.176 0 O-C-N 120.434 -1.416 . . . . 1.0 111.946 -170.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -141.03 160.87 39.15 Favored 'General case' 0 C--N 1.346 0.452 0 O-C-N 121.239 -1.153 . . . . 1.0 112.102 -166.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -144.11 153.0 41.69 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 125.978 1.711 . . . . 1.0 108.466 -173.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -121.7 132.01 54.4 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.393 -1.442 . . . . 1.0 108.186 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.3 t -125.57 141.95 51.76 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.356 -1.465 . . . . 1.0 114.352 -171.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.7 p -101.5 14.25 32.53 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 126.833 2.053 . . . . 1.0 112.095 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 52.3 mtm180 -103.9 -6.29 21.47 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.411 -1.431 . . . . 1.0 112.674 177.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 . . . . . 0 C--O 1.261 1.665 0 O-C-N 120.707 -1.245 . . . . 1.0 109.058 -170.693 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.184 0 O5'-C5'-C4' 113.652 2.466 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.927 0 P-O3'-C3' 123.413 3.094 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.605 0 O5'-C5'-C4' 113.13 2.093 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.57 -3.044 0 P-O5'-C5' 116.364 -2.835 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.221 0 OP1-P-OP2 116.668 -1.955 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.517 0 P-O3'-C3' 123.55 3.208 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.779 0 P-O3'-C3' 122.994 2.745 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.958 0 P-O5'-C5' 116.014 -3.054 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.558 -4.102 0 P-O3'-C3' 123.807 3.423 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.565 -3.5 0 P-O3'-C3' 124.239 3.782 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.568 -3.272 1 P-O3'-C3' 130.569 9.058 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ' DT' . . . . . 1.388 ' C2 ' ' O2 ' ' B' ' 12' ' ' ' DT' . . . . . . . . 1 P--O3' 1.557 -4.176 1 P-O3'-C3' 128.216 7.097 . . . . 1.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.564 -3.574 0 OP1-P-OP2 116.503 -2.064 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.82 0 O4'-C1'-C2' 101.732 -3.971 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.356 1 P-O3'-C3' 124.791 4.243 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.501 0 OP1-P-OP2 116.046 -2.369 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.392 0 O5'-C5'-C4' 114.797 3.284 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.736 0 P-O3'-C3' 123.488 3.157 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.833 0 P-O3'-C3' 121.906 1.838 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.512 0 OP1-P-OP2 115.82 -2.52 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.715 0 OP1-P-OP2 115.846 -2.502 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.894 0 P-O5'-C5' 115.57 -3.331 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.559 -4.039 0 P-O3'-C3' 123.622 3.268 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.563 -3.65 0 P-O5'-C5' 115.991 -3.068 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.567 -3.311 1 P-O3'-C3' 124.987 4.406 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.564 -3.617 1 O4'-C1'-C2' 101.46 -4.218 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.56 -3.901 1 P-O3'-C3' 125.659 4.966 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.278 0 OP1-P-OP2 116.234 -2.244 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.57 -3.047 0 O4'-C1'-C2' 103.171 -2.663 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.771 0 OP1-P-OP2 115.744 -2.571 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.544 0 OP1-P-OP2 116.211 -2.259 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.132 0 OP1-P-OP2 115.98 -2.413 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 mmt . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 114.246 1.202 . . . . 1.0 114.246 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.03 140.94 58.9 Favored 'General case' 0 C--N 1.35 0.599 0 N-CA-C 115.231 1.567 . . . . 1.0 115.231 173.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.3 m -62.85 152.39 7.41 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 C-N-CA 124.819 1.248 . . . . 1.0 114.26 172.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -62.7 -42.98 99.92 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 119.574 -1.954 . . . . 1.0 115.053 -178.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -73.33 -24.06 60.32 Favored 'General case' 0 C--N 1.349 0.563 0 N-CA-C 116.945 2.202 . . . . 1.0 116.945 -168.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 p -65.41 137.57 24.72 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 O-C-N 120.654 -1.279 . . . . 1.0 113.465 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.1 mt -104.46 123.61 58.47 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.39 0 N-CA-C 107.004 -1.48 . . . . 1.0 107.004 -178.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -123.13 124.08 42.26 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 121.325 -0.859 . . . . 1.0 111.335 -171.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 36.2 mtt -140.59 117.69 11.23 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.235 1.014 . . . . 1.0 110.918 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 53.19 44.08 30.72 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 115.162 1.542 . . . . 1.0 115.162 169.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.96 -1.21 85.37 Favored Glycine 0 C--N 1.35 1.343 0 O-C-N 120.443 -1.41 . . . . 1.0 116.029 -175.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.0 tp -105.66 127.59 53.15 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 120.711 -1.464 . . . . 1.0 108.272 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.0 p -127.49 129.56 47.64 Favored 'General case' 0 C--N 1.344 0.355 0 O-C-N 120.749 -1.219 . . . . 1.0 111.621 -177.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 tt -122.51 129.17 51.69 Favored 'General case' 0 CA--C 1.511 -0.53 0 C-N-CA 124.949 1.3 . . . . 1.0 109.27 -176.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -109.44 113.15 58.6 Favored Pre-proline 0 N--CA 1.448 -0.569 0 N-CA-C 107.515 -1.291 . . . . 1.0 107.515 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -66.21 -30.06 46.52 Favored 'Trans proline' 0 CA--C 1.508 -0.784 0 C-N-CA 122.658 2.239 . . . . 1.0 113.065 -175.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 83.0 m -84.19 -39.51 19.27 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-O 122.127 0.965 . . . . 1.0 109.511 -174.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.6 t -79.13 -16.94 55.95 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.371 -1.455 . . . . 1.0 113.38 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.0 m170 68.0 27.52 7.06 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 125.826 1.65 . . . . 1.0 112.913 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -125.25 135.65 52.75 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 123.388 0.675 . . . . 1.0 111.434 -163.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.3 t -116.92 128.91 74.21 Favored 'Isoleucine or valine' 0 C--N 1.346 0.441 0 C-N-CA 124.374 1.07 . . . . 1.0 108.867 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 80.3 mtp -122.56 142.4 50.66 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.871 -1.143 . . . . 1.0 109.856 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.09 124.85 40.18 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 121.153 -0.967 . . . . 1.0 109.042 176.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.25 -106.28 1.38 Allowed Glycine 0 C--N 1.35 1.332 0 O-C-N 120.64 -1.288 . . . . 1.0 112.048 -172.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -114.73 4.27 14.95 Favored 'General case' 0 C--N 1.343 0.292 0 O-C-N 121.336 -1.097 . . . . 1.0 112.706 170.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -109.19 130.7 22.44 Favored Pre-proline 0 C--N 1.35 0.592 0 O-C-N 120.305 -1.497 . . . . 1.0 112.531 -167.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.79 139.34 19.72 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 122.503 2.135 . . . . 1.0 112.641 170.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.9 mt -101.22 167.4 10.23 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 125.143 1.377 . . . . 1.0 111.262 -177.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -123.28 129.39 51.29 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 120.612 -1.305 . . . . 1.0 111.844 -177.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.2 ptp -154.5 168.31 27.15 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 120.948 -1.095 . . . . 1.0 111.504 174.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.83 174.56 51.48 Favored Glycine 0 C--N 1.35 1.346 0 O-C-N 120.783 -1.198 . . . . 1.0 113.45 172.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -80.2 -32.31 1.41 Allowed 'Trans proline' 0 C--N 1.326 -0.644 0 C-N-CA 121.889 1.726 . . . . 1.0 112.378 -167.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.7 m -66.0 -37.26 85.48 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 122.68 1.229 . . . . 1.0 110.944 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -62.51 -42.97 99.87 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 124.936 1.294 . . . . 1.0 112.045 175.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -60.78 -42.57 97.8 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 124.601 1.16 . . . . 1.0 113.212 174.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -60.07 -44.65 94.58 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 120.62 -1.3 . . . . 1.0 113.418 177.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.8 tp -64.47 -43.32 94.57 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 121.392 -0.817 . . . . 1.0 113.124 175.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.0 tp -62.77 -43.28 99.22 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 120.715 -1.241 . . . . 1.0 114.009 177.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -61.66 -40.35 94.63 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.565 -1.334 . . . . 1.0 112.353 174.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -62.13 -44.03 97.53 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 124.021 0.929 . . . . 1.0 112.506 172.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -61.77 -44.56 96.65 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 120.105 -1.622 . . . . 1.0 114.723 173.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 98.2 mtp -74.98 -17.28 60.56 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 119.693 -1.88 . . . . 1.0 113.477 -178.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.3 p -94.46 -0.47 54.71 Favored 'General case' 0 C--N 1.345 0.387 0 O-C-N 120.221 -1.549 . . . . 1.0 110.895 172.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -140.88 62.59 17.45 Favored Pre-proline 0 C--N 1.351 0.645 0 O-C-N 121.129 -0.982 . . . . 1.0 112.904 174.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -78.61 150.7 24.79 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 123.605 2.87 . . . . 1.0 111.877 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 64.01 37.37 9.31 Favored 'General case' 0 C--N 1.347 0.459 0 C-N-CA 127.051 2.14 . . . . 1.0 112.437 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -137.32 126.99 25.33 Favored 'General case' 0 C--N 1.346 0.426 0 O-C-N 120.911 -1.118 . . . . 1.0 109.593 -170.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 18.6 t -92.87 129.73 42.98 Favored 'Isoleucine or valine' 0 C--N 1.345 0.407 0 CA-C-O 122.816 1.293 . . . . 1.0 111.324 -175.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -129.38 132.0 46.95 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 125.852 1.661 . . . . 1.0 108.014 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.4 p -74.08 165.41 25.19 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.175 1.39 . . . . 1.0 111.105 169.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 75.4 mtt85 -59.7 -38.12 80.74 Favored 'General case' 0 C--N 1.35 0.629 0 O-C-N 120.486 -1.384 . . . . 1.0 111.895 175.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -57.82 -44.37 86.36 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.647 1.179 . . . . 1.0 113.584 172.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -66.88 -41.22 87.59 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 120.039 -1.663 . . . . 1.0 112.496 175.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.27 -39.77 95.52 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 120.194 -1.566 . . . . 1.0 113.979 174.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.0 mt -60.4 -45.2 94.43 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.567 -1.333 . . . . 1.0 112.771 171.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -60.43 -45.61 93.01 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 113.369 0.878 . . . . 1.0 113.369 175.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -79.64 -45.12 19.66 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 115.848 1.796 . . . . 1.0 115.848 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.7 t -88.83 -46.33 15.49 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 O-C-N 120.167 -1.583 . . . . 1.0 112.503 -170.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 13.8 m-90 -84.49 -42.78 15.22 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 120.87 -1.144 . . . . 1.0 111.03 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 113.94 166.77 16.03 Favored Glycine 0 C--N 1.346 1.127 0 CA-C-O 122.497 1.054 . . . . 1.0 113.516 -173.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.9 p -97.69 -9.64 26.38 Favored 'General case' 0 C--N 1.345 0.412 0 O-C-N 120.594 -1.533 . . . . 1.0 114.409 -169.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -96.01 -2.48 46.8 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 119.685 -1.884 . . . . 1.0 109.346 169.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.3 t -92.79 146.21 6.67 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 C-N-CA 125.869 1.668 . . . . 1.0 108.895 174.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -145.63 140.37 27.29 Favored 'General case' 0 C--N 1.346 0.423 0 O-C-N 120.592 -1.317 . . . . 1.0 109.856 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.1 m -155.33 170.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.453 0 N-CA-C 104.748 -2.316 . . . . 1.0 104.748 -178.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -70.62 157.47 37.89 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.835 -1.166 . . . . 1.0 110.625 172.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -64.63 -28.78 69.85 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 125.959 1.704 . . . . 1.0 110.811 -176.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -15.02 61.43 Favored 'General case' 0 N--CA 1.434 -1.243 0 C-N-CA 126.548 1.939 . . . . 1.0 113.849 -179.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.3 m -64.89 -30.36 71.36 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 119.798 -1.814 . . . . 1.0 111.884 168.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.2 t -65.7 -47.12 87.17 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 O-C-N 120.491 -1.381 . . . . 1.0 112.367 168.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.38 -44.95 84.89 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 125.398 1.479 . . . . 1.0 113.734 178.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.86 -42.8 97.04 Favored 'Isoleucine or valine' 0 C--N 1.347 0.476 0 C-N-CA 124.689 1.196 . . . . 1.0 112.207 174.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 53.3 m-70 -66.65 -34.48 77.96 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 119.651 -1.906 . . . . 1.0 114.287 174.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.9 mm -60.91 -43.03 94.94 Favored 'Isoleucine or valine' 0 C--N 1.344 0.336 0 O-C-N 120.172 -1.58 . . . . 1.0 112.354 171.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -61.08 -45.15 95.9 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.908 -1.12 . . . . 1.0 112.894 171.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -62.18 -39.51 92.96 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 120.47 -1.394 . . . . 1.0 113.877 176.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 41.5 tp -64.72 -45.32 87.05 Favored 'General case' 0 C--N 1.349 0.554 0 N-CA-C 113.885 1.068 . . . . 1.0 113.885 172.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -60.96 -43.52 98.63 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 120.087 -1.633 . . . . 1.0 113.569 172.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -60.15 -37.35 79.85 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 120.423 -1.423 . . . . 1.0 113.044 174.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.57 -38.45 91.18 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 115.355 1.613 . . . . 1.0 115.355 172.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.0 mt -94.57 -6.83 42.74 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 120.769 -1.207 . . . . 1.0 111.643 -174.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -61.92 -43.81 88.19 Favored Pre-proline 0 C--N 1.349 0.56 0 C-N-CA 125.816 1.646 . . . . 1.0 114.796 174.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -57.32 -24.97 62.92 Favored 'Trans proline' 0 CA--C 1.515 -0.448 0 C-N-CA 123.328 2.685 . . . . 1.0 114.395 168.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -95.59 0.97 63.56 Favored Glycine 0 C--N 1.346 1.115 0 C-N-CA 124.346 0.974 . . . . 1.0 114.183 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 60.67 28.65 68.3 Favored Glycine 0 C--N 1.351 1.374 0 CA-C-N 119.071 1.435 . . . . 1.0 115.359 -178.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 47.1 m80 -127.56 13.06 6.98 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 121.147 -1.208 . . . . 1.0 112.343 -174.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -56.38 -31.36 63.76 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 125.823 1.649 . . . . 1.0 114.19 167.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -56.55 -29.05 61.51 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 127.853 2.461 . . . . 1.0 116.253 178.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 40.9 mtp -65.28 -34.04 77.4 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 119.707 -1.871 . . . . 1.0 113.86 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 40.8 t -76.1 111.41 12.58 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 C-N-CA 125.525 1.53 . . . . 1.0 111.067 174.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.434 HE22 ' HB2' ' A' ' 104' ' ' PHE . 87.4 mt-30 -117.23 150.0 39.48 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 120.399 -1.438 . . . . 1.0 110.785 -172.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 27.9 m -111.44 137.3 49.42 Favored 'General case' 0 CA--C 1.51 -0.58 0 C-N-CA 123.884 0.873 . . . . 1.0 109.42 -176.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.6 t -118.95 109.71 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 O-C-N 120.77 -1.206 . . . . 1.0 107.895 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 44.3 ttt85 -54.79 111.68 0.87 Allowed 'General case' 0 C--N 1.354 0.783 0 N-CA-C 115.164 1.542 . . . . 1.0 115.164 -172.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.01 0.82 89.41 Favored Glycine 0 C--N 1.35 1.306 0 O-C-N 120.463 -1.398 . . . . 1.0 113.741 175.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.2 m -119.99 -36.19 3.33 Favored 'General case' 0 CA--C 1.51 -0.576 0 C-N-CA 123.976 0.91 . . . . 1.0 109.593 -174.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 138.65 -129.03 4.33 Favored Glycine 0 C--N 1.351 1.365 0 O-C-N 120.533 -1.354 . . . . 1.0 112.733 177.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -139.18 165.44 27.14 Favored 'General case' 0 CA--C 1.509 -0.604 0 O-C-N 121.649 -0.913 . . . . 1.0 111.098 -172.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -145.68 147.05 31.56 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.59 1.156 . . . . 1.0 108.557 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -117.49 141.68 48.06 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 106.767 -1.568 . . . . 1.0 106.767 174.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.0 t -143.84 141.0 30.12 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 120.41 -1.431 . . . . 1.0 112.711 -173.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.1 p -104.99 -4.69 21.75 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 123.875 0.87 . . . . 1.0 111.829 174.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -110.83 -17.3 13.37 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.919 -1.113 . . . . 1.0 113.652 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.434 ' HB2' HE22 ' A' ' 91' ' ' GLN . 29.2 m-85 . . . . . 0 C--O 1.26 1.652 0 O-C-N 121.207 -0.933 . . . . 1.0 109.848 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.552 5.169 0 O5'-C5'-C4' 115.14 3.529 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.399 0 P-O3'-C3' 124.223 3.769 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.278 0 OP1-P-OP2 116.904 -1.798 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.082 0 C5'-C4'-C3' 118.835 2.756 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.105 0 P-O5'-C5' 116.225 -2.922 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.946 0 OP1-P-OP2 115.274 -2.884 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.091 0 OP1-P-OP2 116.594 -2.004 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.049 0 P-O5'-C5' 116.53 -2.731 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.99 0 OP1-P-OP2 114.739 -3.241 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.956 0 OP1-P-OP2 116.045 -2.37 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.568 -3.268 1 P-O3'-C3' 126.536 5.696 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.574 4.578 1 O4'-C1'-C2' 100.11 -5.445 . . . . 1.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.269 0 OP1-P-OP2 115.83 -2.513 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.848 0 O5'-C5'-C4' 113.323 2.231 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.606 0 P-O3'-C3' 122.648 2.457 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.785 0 OP1-P-OP2 116.074 -2.351 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.4 0 O5'-C5'-C4' 114.104 2.789 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.573 -2.833 1 O4'-C1'-C2' 101.495 -4.186 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.559 -3.977 1 P-O3'-C3' 125.426 4.772 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.933 0 O4'-C1'-C2' 103.485 -2.378 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.557 -4.182 1 P-O3'-C3' 124.632 4.11 . . . . 1.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.372 0 P-O3'-C3' 123.404 3.087 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.56 -3.926 0 OP1-P-OP2 116.0 -2.4 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.564 -3.544 0 OP1-P-OP2 115.534 -2.711 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.548 0 P-O3'-C3' 124.071 3.642 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.721 1 O4'-C1'-C2' 100.988 -4.648 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.642 0 P-O3'-C3' 122.757 2.548 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.566 -3.437 0 P-O3'-C3' 124.113 3.677 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.565 -3.54 0 P-O3'-C3' 123.203 2.919 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.651 0 OP1-P-OP2 116.439 -2.107 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.705 0 OP1-P-OP2 116.275 -2.217 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.507 0 O4'-C1'-C2' 102.231 -3.517 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 113.15 0.796 . . . . 1.0 113.15 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.37 -45.16 40.94 Favored 'General case' 0 C--N 1.35 0.587 0 O-C-N 120.134 -1.604 . . . . 1.0 113.272 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.2 m -61.93 145.99 12.6 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 N-CA-C 114.19 1.182 . . . . 1.0 114.19 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -68.61 -39.33 80.89 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.365 -1.46 . . . . 1.0 113.157 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.276 28.1 tt0 97.87 127.7 0.01 OUTLIER 'General case' 0 C--N 1.354 0.789 0 C-N-CA 129.217 3.007 . . . . 1.0 112.309 178.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.2 t -61.26 138.14 22.45 Favored 'Isoleucine or valine' 0 C--N 1.349 0.554 0 C-N-CA 124.995 1.318 . . . . 1.0 112.705 176.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.6 mt -111.67 117.79 55.99 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 N-CA-C 106.83 -1.544 . . . . 1.0 106.83 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -127.08 119.43 26.53 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 121.342 -0.849 . . . . 1.0 110.308 -174.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -162.02 149.01 13.89 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-O 121.946 0.879 . . . . 1.0 111.161 172.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 50.62 49.62 20.5 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 127.207 2.203 . . . . 1.0 115.882 177.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.05 3.0 73.98 Favored Glycine 0 C--N 1.348 1.245 0 N-CA-C 115.293 0.877 . . . . 1.0 115.293 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.0 tp -122.33 130.54 53.23 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 123.592 0.757 . . . . 1.0 110.908 -174.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.6 p -127.82 126.14 41.11 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 122.864 1.316 . . . . 1.0 112.62 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.3 tt -124.26 126.38 45.98 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 120.222 -1.549 . . . . 1.0 110.019 -175.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -112.43 109.61 53.64 Favored Pre-proline 0 C--N 1.349 0.55 0 N-CA-C 107.378 -1.341 . . . . 1.0 107.378 177.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.78 -29.84 34.86 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 122.576 2.184 . . . . 1.0 111.698 175.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.3 m -63.16 -41.21 99.22 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 125.02 1.328 . . . . 1.0 112.094 -178.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.9 m -101.18 -2.89 30.18 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 121.024 -1.048 . . . . 1.0 112.846 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.6 m170 61.87 38.77 14.35 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 125.314 1.446 . . . . 1.0 114.428 -178.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.3 ttt180 -124.26 133.54 53.47 Favored 'General case' 0 N--CA 1.444 -0.742 0 O-C-N 121.49 -0.756 . . . . 1.0 112.494 -171.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.2 t -112.54 130.37 66.42 Favored 'Isoleucine or valine' 0 C--N 1.346 0.425 0 N-CA-C 107.123 -1.436 . . . . 1.0 107.123 172.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.8 mtp -124.82 146.65 49.15 Favored 'General case' 0 N--CA 1.443 -0.811 0 O-C-N 121.131 -0.98 . . . . 1.0 109.179 174.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.71 115.36 21.28 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 106.297 -1.742 . . . . 1.0 106.297 168.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.83 -129.71 35.89 Favored Glycine 0 C--N 1.349 1.279 0 O-C-N 121.532 -0.73 . . . . 1.0 112.399 -165.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -97.26 10.43 39.55 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 121.408 -1.054 . . . . 1.0 112.046 178.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -112.78 122.65 35.58 Favored Pre-proline 0 N--CA 1.445 -0.694 0 O-C-N 121.052 -1.03 . . . . 1.0 111.202 -172.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.93 145.67 32.01 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.771 2.314 . . . . 1.0 111.65 175.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.9 mt -103.47 159.6 15.45 Favored 'General case' 0 CA--C 1.512 -0.498 0 C-N-CA 124.049 0.94 . . . . 1.0 111.091 -178.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -119.24 126.22 51.0 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.852 0.834 . . . . 1.0 110.556 -177.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.0 ptp -159.5 171.37 19.8 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 107.161 -1.422 . . . . 1.0 107.161 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.66 173.02 43.28 Favored Glycine 0 C--N 1.352 1.431 0 O-C-N 120.761 -1.212 . . . . 1.0 113.165 175.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -63.11 -37.89 49.26 Favored 'Trans proline' 0 C--N 1.33 -0.422 0 C-N-CA 123.307 2.671 . . . . 1.0 114.526 -178.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.7 m -64.7 -41.61 95.89 Favored 'General case' 0 C--N 1.347 0.494 0 C-N-CA 123.98 0.912 . . . . 1.0 111.831 176.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -62.66 -42.01 99.38 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.769 -1.207 . . . . 1.0 112.639 171.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -59.71 -47.56 85.15 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 124.267 1.027 . . . . 1.0 112.955 175.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -63.84 -41.54 97.8 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 120.786 -1.196 . . . . 1.0 113.101 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.1 tp -62.02 -43.93 97.79 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 121.04 -1.037 . . . . 1.0 113.106 172.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.4 tp -63.8 -40.99 97.96 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.731 -1.231 . . . . 1.0 113.224 174.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -58.81 -44.67 90.87 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 120.526 -1.359 . . . . 1.0 112.192 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.58 -46.12 91.2 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 121.281 -0.887 . . . . 1.0 112.934 174.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -62.89 -42.17 99.68 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 115.035 1.495 . . . . 1.0 115.035 173.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 87.9 mtp -72.52 -19.33 61.54 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 119.522 -1.986 . . . . 1.0 114.048 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.0 t -98.59 6.64 46.93 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.769 -1.207 . . . . 1.0 111.197 170.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -141.64 62.66 15.41 Favored Pre-proline 0 C--N 1.356 0.868 0 O-C-N 120.362 -1.461 . . . . 1.0 113.861 170.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -77.3 155.23 32.61 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 123.159 2.573 . . . . 1.0 112.042 177.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 61.61 45.81 7.8 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 127.104 2.162 . . . . 1.0 113.729 177.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -150.33 140.59 22.23 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.445 -0.946 . . . . 1.0 108.445 172.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.4 t -84.94 137.22 21.21 Favored 'Isoleucine or valine' 0 C--N 1.346 0.451 0 CA-C-O 122.45 1.119 . . . . 1.0 110.428 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -125.95 126.31 44.15 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 106.751 -1.574 . . . . 1.0 106.751 173.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.9 p -64.21 158.65 22.57 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 121.451 -0.781 . . . . 1.0 111.589 169.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -58.6 -36.51 74.14 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 120.318 -1.489 . . . . 1.0 111.759 174.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -59.43 -43.44 93.1 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 113.929 1.085 . . . . 1.0 113.929 171.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -65.79 -42.51 90.64 Favored 'General case' 0 C--N 1.361 1.079 0 O-C-N 119.847 -1.783 . . . . 1.0 112.68 173.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.55 -42.19 98.46 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.967 -1.083 . . . . 1.0 112.594 176.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 58.6 mt -59.12 -48.9 79.91 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 121.332 -0.855 . . . . 1.0 112.812 171.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -62.0 -44.42 96.76 Favored 'General case' 0 C--N 1.346 0.451 0 O-C-N 120.906 -1.121 . . . . 1.0 113.615 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -72.29 -42.17 65.82 Favored 'General case' 0 C--N 1.347 0.463 0 N-CA-C 116.716 2.117 . . . . 1.0 116.716 177.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.3 t -104.39 -36.31 3.88 Favored 'Isoleucine or valine' 0 C--N 1.351 0.655 0 O-C-N 120.152 -1.592 . . . . 1.0 112.773 -167.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 10.2 m-90 -90.36 -41.17 11.65 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 120.803 -1.186 . . . . 1.0 109.843 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 125.34 162.01 11.2 Favored Glycine 0 C--N 1.346 1.122 0 CA-C-O 123.541 1.634 . . . . 1.0 113.816 -177.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.2 p -83.92 -20.21 33.36 Favored 'General case' 0 CA--C 1.514 -0.425 0 O-C-N 120.789 -1.418 . . . . 1.0 112.081 -177.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -100.58 22.32 12.0 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.337 1.055 . . . . 1.0 110.348 175.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.5 t -113.6 136.79 48.88 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.69 0 N-CA-C 107.391 -1.337 . . . . 1.0 107.391 177.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -125.93 9.0 7.48 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 122.953 1.358 . . . . 1.0 113.76 -149.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.9 m -53.12 154.69 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 128.352 2.661 . . . . 1.0 115.578 175.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -59.86 157.65 12.01 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 125.248 1.419 . . . . 1.0 113.166 165.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -62.31 -28.47 69.76 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 120.657 -1.277 . . . . 1.0 113.358 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -72.55 -17.94 61.67 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 120.623 -1.298 . . . . 1.0 114.115 -169.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.4 ' O ' ' HD2' ' A' ' 73' ' ' HIS . 10.9 t -70.43 -20.92 62.87 Favored 'General case' 0 C--N 1.354 0.792 0 O-C-N 119.728 -1.857 . . . . 1.0 112.418 172.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.0 t -64.42 -47.61 88.69 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 O-C-N 119.538 -1.976 . . . . 1.0 111.78 167.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.23 -44.0 92.35 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 124.929 1.292 . . . . 1.0 112.796 177.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 69.2 t -64.1 -43.71 97.52 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 C-N-CA 125.2 1.4 . . . . 1.0 113.178 175.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.4 ' HD2' ' O ' ' A' ' 69' ' ' THR . 86.5 m-70 -68.78 -34.68 75.96 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 119.598 -1.939 . . . . 1.0 112.938 175.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.8 mm -61.17 -41.28 88.86 Favored 'Isoleucine or valine' 0 C--N 1.35 0.618 0 O-C-N 120.307 -1.496 . . . . 1.0 112.858 170.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.8 ttt-85 -58.64 -44.39 90.06 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 120.493 -1.38 . . . . 1.0 113.027 173.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 68.2 mtt-85 -62.4 -42.28 99.31 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 124.623 1.169 . . . . 1.0 113.925 174.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.9 tp -62.81 -44.95 94.81 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.141 0.976 . . . . 1.0 113.089 176.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -59.22 -43.08 92.34 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.275 -1.515 . . . . 1.0 114.566 171.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -59.85 -39.07 83.94 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 121.001 -1.062 . . . . 1.0 113.731 178.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.21 -40.06 95.28 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 114.539 1.311 . . . . 1.0 114.539 171.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 66.7 mt -90.32 -11.03 41.93 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 119.906 -1.746 . . . . 1.0 112.813 -173.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -66.98 -41.72 37.65 Favored Pre-proline 0 C--N 1.344 0.359 0 N-CA-C 117.126 2.269 . . . . 1.0 117.126 -177.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -59.96 -34.47 95.08 Favored 'Trans proline' 0 CA--C 1.521 -0.163 0 CA-C-N 124.902 2.787 . . . . 1.0 114.956 176.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -86.15 -4.21 84.3 Favored Glycine 0 C--N 1.347 1.168 0 CA-C-N 119.074 0.852 . . . . 1.0 114.831 172.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 73.57 33.62 58.08 Favored Glycine 0 C--N 1.347 1.18 0 O-C-N 120.645 -1.503 . . . . 1.0 115.695 177.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -107.65 -6.16 17.05 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 120.871 -1.37 . . . . 1.0 112.087 178.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -56.1 -40.61 73.94 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 126.665 1.986 . . . . 1.0 115.127 175.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -70.37 -14.41 62.56 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 126.923 2.089 . . . . 1.0 114.387 -170.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -93.54 2.4 56.42 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 121.243 -0.911 . . . . 1.0 112.049 173.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.6 t -91.36 96.13 6.07 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 N-CA-C 107.09 -1.448 . . . . 1.0 107.09 164.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -97.77 156.16 16.7 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 120.785 -1.197 . . . . 1.0 111.765 -168.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 86.6 m -111.59 140.44 46.2 Favored 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 123.644 0.778 . . . . 1.0 109.953 -177.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.8 t -116.5 110.56 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 C-N-CA 124.765 1.226 . . . . 1.0 108.042 174.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 53.2 ttt-85 -58.37 127.15 30.68 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 125.789 1.636 . . . . 1.0 113.403 -176.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.21 3.98 90.56 Favored Glycine 0 C--N 1.349 1.256 0 C-N-CA 124.609 1.099 . . . . 1.0 114.085 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 96.2 m -139.7 -63.08 0.51 Allowed 'General case' 0 CA--C 1.51 -0.561 0 CA-C-N 118.556 1.178 . . . . 1.0 111.695 -171.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 169.68 -130.93 2.14 Favored Glycine 0 C--N 1.347 1.187 0 O-C-N 119.762 -1.836 . . . . 1.0 113.385 -172.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -145.93 164.92 30.49 Favored 'General case' 0 C--N 1.346 0.43 0 O-C-N 121.535 -0.98 . . . . 1.0 111.344 -165.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 70.3 ttt-85 -148.39 145.5 28.08 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 124.806 1.243 . . . . 1.0 109.002 -174.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -117.99 144.99 45.06 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 120.286 -1.509 . . . . 1.0 109.794 176.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.7 t -140.58 163.7 32.14 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 120.391 -1.443 . . . . 1.0 111.637 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 35.3 p -107.76 -1.76 20.65 Favored 'General case' 0 CA--C 1.512 -0.507 0 C-N-CA 124.489 1.116 . . . . 1.0 109.299 169.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -143.8 -110.79 0.11 Allowed 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 124.267 1.027 . . . . 1.0 108.372 -178.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 . . . . . 0 C--O 1.262 1.742 0 O-C-N 120.955 -1.091 . . . . 1.0 111.841 -178.35 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.201 0 O5'-C5'-C4' 115.049 3.464 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.534 0 OP1-P-OP2 116.233 -2.245 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.564 -3.624 0 P-O5'-C5' 116.252 -2.905 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.569 -3.18 0 P-O5'-C5' 117.216 -2.303 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.571 -3.001 0 OP1-P-OP2 116.54 -2.04 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.638 0 OP1-P-OP2 116.475 -2.083 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.619 0 P-O3'-C3' 123.77 3.392 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.545 0 O4'-C1'-C2' 102.845 -2.959 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.252 0 OP1-P-OP2 115.856 -2.496 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.561 -3.827 1 P-O3'-C3' 124.836 4.28 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.897 0 OP1-P-OP2 116.432 -2.112 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.565 -3.501 0 P-O3'-C3' 124.27 3.808 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.647 0 N19-C1'-C2' 117.566 2.104 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.24 0 O4'-C1'-C2' 102.607 -3.175 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.299 0 OP1-P-OP2 116.296 -2.203 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.205 0 C4'-C3'-O3' 115.116 2.189 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.255 0 O5'-C5'-C4' 114.424 3.017 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.455 0 OP1-P-OP2 115.282 -2.878 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.061 0 OP1-P-OP2 116.151 -2.299 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.567 -3.337 0 OP1-P-OP2 116.244 -2.237 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.052 0 OP1-P-OP2 116.278 -2.215 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.275 0 P-O5'-C5' 116.585 -2.697 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.564 -3.56 0 P-O3'-C3' 123.812 3.427 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.566 -3.38 0 P-O5'-C5' 115.339 -3.476 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.569 -3.153 0 P-O3'-C3' 122.992 2.744 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.898 0 P-O5'-C5' 115.266 -3.521 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.955 0 P-O5'-C5' 116.69 -2.631 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.26 0 P-O3'-C3' 123.417 3.098 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.004 0 OP1-P-OP2 116.11 -2.327 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.024 0 OP1-P-OP2 115.816 -2.523 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.283 0 OP1-P-OP2 116.018 -2.388 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.157 0 OP1-P-OP2 115.949 -2.434 . . . . 1.0 . . . . . . . . . . 0 0 . 1 stop_ save_